BDBM50118977 4-(4-But-2-ynyloxy-benzenesulfonyl)-1-methanesulfonyl-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide::CHEMBL95262

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

InChI Key: InChIKey=DWAPKTBJQHYHER-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 = 50118977   

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))	BDBM50118977 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1-methanesulfo...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O7S2/c1-3-4-13-31-17-9-11-18(12-10-17)33(29,30)24-14-16-7-5-6-8-19(16)23(32(2,27)28)15-20(24)21(25)22-26/h5-12,20,26H,13-15H2,1-2H3,(H,22,25)	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	96	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))	BDBM50118977 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1-methanesulfo...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O7S2/c1-3-4-13-31-17-9-11-18(12-10-17)33(29,30)24-14-16-7-5-6-8-19(16)23(32(2,27)28)15-20(24)21(25)22-26/h5-12,20,26H,13-15H2,1-2H3,(H,22,25)	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	20	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))	BDBM50118977 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1-methanesulfo...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O7S2/c1-3-4-13-31-17-9-11-18(12-10-17)33(29,30)24-14-16-7-5-6-8-19(16)23(32(2,27)28)15-20(24)21(25)22-26/h5-12,20,26H,13-15H2,1-2H3,(H,22,25)	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	35	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))	BDBM50118977 (4-(4-But-2-ynyloxy-benzenesulfonyl)-1-methanesulfo...) Show SMILES CC#CCOc1ccc(cc1)S(=O)(=O)N1Cc2ccccc2N(CC1C(=O)NO)S(C)(=O)=O Show InChI InChI=1S/C21H23N3O7S2/c1-3-4-13-31-17-9-11-18(12-10-17)33(29,30)24-14-16-7-5-6-8-19(16)23(32(2,27)28)15-20(24)21(25)22-26/h5-12,20,26H,13-15H2,1-2H3,(H,22,25)	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	260	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