BDBM50118971 4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(thiophene-2-carbonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide::CHEMBL97788

SMILES: ONC(=O)C1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1

InChI Key: InChIKey=YQCWPKHRHVYSBQ-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 = 50118971   

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))	BDBM50118971 (4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(thioph...) Show SMILES ONC(=O)C1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H22ClN3O6S2/c28-19-7-9-20(10-8-19)37-21-11-13-22(14-12-21)39(35,36)31-16-18-4-1-2-5-23(18)30(17-24(31)26(32)29-34)27(33)25-6-3-15-38-25/h1-15,24,34H,16-17H2,(H,29,32)	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	2	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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50118971 (4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(thioph...) Show SMILES ONC(=O)C1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H22ClN3O6S2/c28-19-7-9-20(10-8-19)37-21-11-13-22(14-12-21)39(35,36)31-16-18-4-1-2-5-23(18)30(17-24(31)26(32)29-34)27(33)25-6-3-15-38-25/h1-15,24,34H,16-17H2,(H,29,32)	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	254	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
Collagenase 3 (Homo sapiens (Human))	BDBM50118971 (4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(thioph...) Show SMILES ONC(=O)C1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H22ClN3O6S2/c28-19-7-9-20(10-8-19)37-21-11-13-22(14-12-21)39(35,36)31-16-18-4-1-2-5-23(18)30(17-24(31)26(32)29-34)27(33)25-6-3-15-38-25/h1-15,24,34H,16-17H2,(H,29,32)	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	4	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50118971 (4-[4-(4-Chloro-phenoxy)-benzenesulfonyl]-1-(thioph...) Show SMILES ONC(=O)C1CN(C(=O)c2cccs2)c2ccccc2CN1S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C27H22ClN3O6S2/c28-19-7-9-20(10-8-19)37-21-11-13-22(14-12-21)39(35,36)31-16-18-4-1-2-5-23(18)30(17-24(31)26(32)29-34)27(33)25-6-3-15-38-25/h1-15,24,34H,16-17H2,(H,29,32)	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	35	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