BDBM50631561 CHEMBL5440886

SMILES Cc1cc2c([nH]1)ccc(c2F)Oc3c4cc(c(cc4ncn3)OCCCN5CCC(CC5)c6ccc(cc6)C(=O)N)OC

InChI Key InChIKey=ZUKPQXRSZJTISJ-UHFFFAOYSA-N

Data  3 IC50  1 EC50

PDB links: 1 PDB ID matches this monomer.

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50631561   

TargetATP-dependent Clp protease proteolytic subunit 2(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50631561(CHEMBL5440886)
Affinity DataIC50: 2.60E+3nMAssay Description:Inhibition of N-terminal His6-SUMO-tagged Mtb ClpP1 (7 to 200 residues)/ClpP2 (13 to 214 residues) complex expressed in Escherichia coli BL21(DE3) us...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetATP-dependent Clp protease proteolytic subunit 2(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50631561(CHEMBL5440886)
Affinity DataIC50: 8.90E+3nMAssay Description:Inhibition of N-terminal His6-SUMO-tagged Mtb ClpP1 (7 to 200 residues)/ClpP2 (13 to 214 residues) complex expressed in Escherichia coli BL21(DE3) us...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetATP-dependent Clp protease proteolytic subunit 2(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50631561(CHEMBL5440886)
Affinity DataEC50:  1.21E+4nMAssay Description:Binding affinity to N-terminal His6-SUMO-tagged Mtb ClpP1 (7 to 200 residues)/ClpP2 (13 to 214 residues) complex expressed in Escherichia coli BL21(D...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)
TargetATP-dependent Clp protease proteolytic subunit 2(Mycobacterium tuberculosis (strain ATCC 25618 / H3...)
Sichuan University

Curated by ChEMBL
LigandPNGBDBM50631561(CHEMBL5440886)
Affinity DataIC50: 1.00E+5nMAssay Description:Inhibition of N-terminal His6-SUMO-tagged Mtb ClpP1 (7 to 200 residues)/ClpP2 (13 to 214 residues) complex expressed in Escherichia coli BL21(DE3) us...More data for this Ligand-Target Pair
In Depth
Date in BDB:
12/21/2024
Entry Details
PubMedPDB3D3D Structure (crystal)