BDBM43866 2-amino-4,6-dimethyl-3-oxo-1-N,9-N-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide::2-amino-4,6-dimethyl-3-oxo-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentaoxo-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide::2-amino-N,N''''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide::2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide::2-amino-N,N'-bis[(3R,6S,7R,10S,16S)-3,10-diisopropyl-2,5,9,12,15-pentaketo-7,11,14-trimethyl-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]-3-keto-4,6-dimethyl-phenoxazine-1,9-dicarboxamide::2-azanyl-4,6-dimethyl-3-oxidanylidene-N1,N9-bis[(3R,6S,7R,10S,16S)-7,11,14-trimethyl-2,5,9,12,15-pentakis(oxidanylidene)-3,10-di(propan-2-yl)-8-oxa-1,4,11,14-tetrazabicyclo[14.3.0]nonadecan-6-yl]phenoxazine-1,9-dicarboxamide::DACTINOMYCIN::Glycopeptide, 4a::MLS001424196::SMR000469227::cid_457193

SMILES CC(C)[C@H]1NC(=O)[C@@H](NC(=O)c2ccc(C)c3oc4c(C)c(=O)c(N)c(C(=O)N[C@H]5[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]6CCCN6C(=O)[C@H](NC5=O)C(C)C)c4nc23)[C@@H](C)OC(=O)[C@H](C(C)C)N(C)C(=O)CN(C)C(=O)[C@@H]2CCCN2C1=O

InChI Key InChIKey=RJURFGZVJUQBHK-UHFFFAOYSA-N

Data  1 KI  7 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 43866   

LigandPNGBDBM43866(2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopro...)
Affinity DataIC50: 8.50E+4nMAssay Description:Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
LigandPNGBDBM43866(2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopro...)
Affinity DataIC50: 3.21E+4nMAssay Description:Project Title: A screen for modulators of human Rad51, a key DNA repair protein Application Number: MH084119 Assay Submitter: Dr. Alex Mazin Submitte...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/31/2011
Entry Details
PCBioAssay
TargetDNA-directed RNA polymerase subunit beta'(Escherichia coli (strain K12))
TBA

Curated by ChEMBL
LigandPNGBDBM43866(2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopro...)
Affinity DataIC50: 160nMAssay Description:Inhibition of Escherichia coli DNA-dependent RNA polymeraseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
2/6/2015
Entry Details Article
PubMed
TargetDiscoidin domain-containing receptor 2(Human)
Chinese Academy of Sciences

Curated by ChEMBL
LigandPNGBDBM43866(2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopro...)
Affinity DataIC50: 9.00E+3nMAssay Description:Inhibition of human DDR2 expressed in HEK293 cells assessed as reduction in collagen-1-induced DDR2 tyrosine phosphorylation pre-incubated for 30 min...More data for this Ligand-Target Pair
In Depth
Date in BDB:
4/29/2016
Entry Details Article
PubMed
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM43866(2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopro...)
Affinity DataIC50: 2.51E+5nMAssay Description:Inhibition of Mycobacterium tuberculosis pantothenate synthetase by high throughput screening methodMore data for this Ligand-Target Pair
In Depth
Date in BDB:
3/23/2012
Entry Details Article
PubMed
TargetGrowth factor receptor-bound protein 2(Human)
Korea Research Institute of Bioscience and Biotechnology

Curated by ChEMBL
LigandPNGBDBM43866(2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopro...)
Affinity DataIC50: 5.00E+3nMAssay Description:Inhibition of GST-Grb2 Tyrosine kinase SH2 domain binding to [3H]labeled-phosphopeptide (Ac-SpYVNK-NH-C(O)-CH2CH2H3)More data for this Ligand-Target Pair
In Depth
Date in BDB:
9/28/2012
Entry Details Article
PubMed
TargetPantothenate synthetase(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Peking Union Medical College

Curated by ChEMBL
LigandPNGBDBM43866(2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopro...)
Affinity DataIC50: 2.51E+5nMAssay Description:Inhibition of Mycobacterium tuberculosis pantothenate synthetaseMore data for this Ligand-Target Pair
In Depth
Date in BDB:
4/13/2014
Entry Details Article
PubMed
TargetDolichyl-diphosphooligosaccharide--protein glycosyltransferase subunit 1(Baker's yeast)
Massachusetts Institute of Technology

LigandPNGBDBM43866(2-amino-N,N''-bis[(3R,6S,7R,10S,16S)-3,10-diisopro...)
Affinity DataKi:  41nM ΔG°:  -9.23kcal/molepH: 7.5 T: 2°CAssay Description:Competition assay using S. cerevisiae oligosaccharyl transferase (OT)with disaccharide donor Dol-P-P-(GlcNAc)2 and the tripeptide substrate Bz-Asn-Le...More data for this Ligand-Target Pair
In Depth
Date in BDB:
5/24/2011
Entry Details Article
PubMed