BDBM50118979 4-(4-But-2-ynyloxy-benzenesulfonyl)-1-cyclopropanecarbonyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide::CHEMBL95460

SMILES: CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1

InChI Key: InChIKey=BLQAAMGUGMNRQN-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 = 50118979   

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))	BDBM50118979 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1-cyclopropane...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C24H25N3O6S/c1-2-3-14-33-19-10-12-20(13-11-19)34(31,32)27-15-18-6-4-5-7-21(18)26(24(29)17-8-9-17)16-22(27)23(28)25-30/h4-7,10-13,17,22,30H,8-9,14-16H2,1H3,(H,25,28)	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	33	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50118979 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1-cyclopropane...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C24H25N3O6S/c1-2-3-14-33-19-10-12-20(13-11-19)34(31,32)27-15-18-6-4-5-7-21(18)26(24(29)17-8-9-17)16-22(27)23(28)25-30/h4-7,10-13,17,22,30H,8-9,14-16H2,1H3,(H,25,28)	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	841	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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50118979 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1-cyclopropane...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C24H25N3O6S/c1-2-3-14-33-19-10-12-20(13-11-19)34(31,32)27-15-18-6-4-5-7-21(18)26(24(29)17-8-9-17)16-22(27)23(28)25-30/h4-7,10-13,17,22,30H,8-9,14-16H2,1H3,(H,25,28)	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	10	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))	BDBM50118979 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1-cyclopropane...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)C(=O)C1CC1 Show InChI InChI=1S/C24H25N3O6S/c1-2-3-14-33-19-10-12-20(13-11-19)34(31,32)27-15-18-6-4-5-7-21(18)26(24(29)17-8-9-17)16-22(27)23(28)25-30/h4-7,10-13,17,22,30H,8-9,14-16H2,1H3,(H,25,28)	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	29	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