BDBM50615469 CHEMBL5285476

SMILES CC(C)C[C@H]1c2c(c3ccc(cc3[nH]2)OC)C[C@@H]4N1C(=O)[C@@H](NC4=O)CCC(=O)OC(C)(C)C

InChI Key InChIKey=NXNRAECHCJZNRF-UHFFFAOYSA-N

Data  3 IC50

PDB links: 1 PDB ID matches this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50615469   

TargetATP-dependent translocase ABCB1(Human)
University of Bonn

Curated by ChEMBL

LigandBDBM50615469(CHEMBL5285476)Copy SMILESCopy InChI

Affinity DataIC50: 3.63E+3nMAssay Description:Inhibition of P-gp (unknown origin) expressed in dog MDCK-MDR1cells by calcein AM accumulation assayMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
4/23/2024
Entry Details
Copy Entry DOIPubMed
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TargetMultidrug resistance-associated protein 1(Human)
University of Bonn

Curated by ChEMBL

LigandBDBM50615469(CHEMBL5285476)Copy SMILESCopy InChI

Affinity DataIC50: 2.08E+4nMAssay Description:Inhibition of MRP1 (unknown origin) by calcein AM assayMore data for this Ligand-Target Pair

Target InfoPDB
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
4/23/2024
Entry Details
Copy Entry DOIPubMed
Copy Rxn URL

TargetBroad substrate specificity ATP-binding cassette transporter ABCG2(Human)
University of Bonn

Curated by ChEMBL

LigandBDBM50615469(CHEMBL5285476)Copy SMILESCopy InChI

Affinity DataIC50: 1.25E+3nMAssay Description:Inhibition of BCRP (unknown origin) by Hoechst 33342 staining based assayMore data for this Ligand-Target Pair

Target InfoPDBKEGG
UniProtKB/SwissProt
GoogleScholar

Ligand InfoPC cidPC sidPDBSimilars

In Depth
Date in BDB:
4/23/2024
Entry Details
Copy Entry DOIPubMedPDB3D Structure (crystal)
Copy Rxn URL