BDBM50118976 1-(2-Methoxy-acetyl)-4-(4-methoxy-benzenesulfonyl)-2,3,4,5-tetrahydro-1H-benzo[e][1,4]diazepine-3-carboxylic acid hydroxyamide::CHEMBL97898

SMILES: COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO

InChI Key: InChIKey=PLYLMXDSDZFWLJ-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 = 50118976   

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))	BDBM50118976 (1-(2-Methoxy-acetyl)-4-(4-methoxy-benzenesulfonyl)...) Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H23N3O7S/c1-29-13-19(24)22-12-18(20(25)21-26)23(11-14-5-3-4-6-17(14)22)31(27,28)16-9-7-15(30-2)8-10-16/h3-10,18,26H,11-13H2,1-2H3,(H,21,25)	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	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
Collagenase 3 (Homo sapiens (Human))	BDBM50118976 (1-(2-Methoxy-acetyl)-4-(4-methoxy-benzenesulfonyl)...) Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H23N3O7S/c1-29-13-19(24)22-12-18(20(25)21-26)23(11-14-5-3-4-6-17(14)22)31(27,28)16-9-7-15(30-2)8-10-16/h3-10,18,26H,11-13H2,1-2H3,(H,21,25)	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	2	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))	BDBM50118976 (1-(2-Methoxy-acetyl)-4-(4-methoxy-benzenesulfonyl)...) Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H23N3O7S/c1-29-13-19(24)22-12-18(20(25)21-26)23(11-14-5-3-4-6-17(14)22)31(27,28)16-9-7-15(30-2)8-10-16/h3-10,18,26H,11-13H2,1-2H3,(H,21,25)	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	95	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))	BDBM50118976 (1-(2-Methoxy-acetyl)-4-(4-methoxy-benzenesulfonyl)...) Show SMILES COCC(=O)N1CC(N(Cc2ccccc12)S(=O)(=O)c1ccc(OC)cc1)C(=O)NO Show InChI InChI=1S/C20H23N3O7S/c1-29-13-19(24)22-12-18(20(25)21-26)23(11-14-5-3-4-6-17(14)22)31(27,28)16-9-7-15(30-2)8-10-16/h3-10,18,26H,11-13H2,1-2H3,(H,21,25)	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	34	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