BDBM50118968 4-(4-Methoxy-benzenesulfonyl)-1-[2-(4-methyl-piperazin-1-yl)-acetyl]-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide::CHEMBL319808

SMILES: COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CN1CCN(C)CC1

InChI Key: InChIKey=QRDJMZMVDBUNNQ-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50118968   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50118968 (4-(4-Methoxy-benzenesulfonyl)-1-[2-(4-methyl-piper...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CN1CCN(C)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-26-11-13-27(14-12-26)17-23(30)28-16-22(24(31)25-32)29(15-18-5-3-4-6-21(18)28)36(33,34)20-9-7-19(35-2)8-10-20/h3-10,22,32H,11-17H2,1-2H3,(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	187	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-9				Bioorg Med Chem Lett 12: 2867-70 (2002) BindingDB Entry DOI: 10.7270/Q2JS9PSH
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50118968 (4-(4-Methoxy-benzenesulfonyl)-1-[2-(4-methyl-piper...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CN1CCN(C)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-26-11-13-27(14-12-26)17-23(30)28-16-22(24(31)25-32)29(15-18-5-3-4-6-21(18)28)36(33,34)20-9-7-19(35-2)8-10-20/h3-10,22,32H,11-17H2,1-2H3,(H,25,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	317	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Concentration of the compound required in vitro to inhibit Matrix metalloproteinase-13				Bioorg Med Chem Lett 12: 2867-70 (2002) BindingDB Entry DOI: 10.7270/Q2JS9PSH
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50118968 (4-(4-Methoxy-benzenesulfonyl)-1-[2-(4-methyl-piper...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CN1CCN(C)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-26-11-13-27(14-12-26)17-23(30)28-16-22(24(31)25-32)29(15-18-5-3-4-6-21(18)28)36(33,34)20-9-7-19(35-2)8-10-20/h3-10,22,32H,11-17H2,1-2H3,(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	808	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Concentration required in vitro to inhibit TNF-alpha converting enzyme (TACE)				Bioorg Med Chem Lett 12: 2867-70 (2002) BindingDB Entry DOI: 10.7270/Q2JS9PSH
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50118968 (4-(4-Methoxy-benzenesulfonyl)-1-[2-(4-methyl-piper...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)CN1CCN(C)CC1 Show InChI InChI=1S/C24H31N5O6S/c1-26-11-13-27(14-12-26)17-23(30)28-16-22(24(31)25-32)29(15-18-5-3-4-6-21(18)28)36(33,34)20-9-7-19(35-2)8-10-20/h3-10,22,32H,11-17H2,1-2H3,(H,25,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth Research Curated by ChEMBL					Assay Description Concentration required in vitro to inhibit Matrix metalloproteinase-1				Bioorg Med Chem Lett 12: 2867-70 (2002) BindingDB Entry DOI: 10.7270/Q2JS9PSH
					More data for this Ligand-Target Pair