BDBM50098914 (R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfonyl)-[1,4]diazepane-1-carboxylic acid benzyl ester::CHEMBL267939

SMILES: COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1

InChI Key: InChIKey=XDYZXHJJAIXYOR-LJQANCHMSA-N

Data: 7 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 7 hits for monomerid = 50098914   

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
Interstitial collagenase (Homo sapiens (Human))	BDBM50098914 ((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1	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	97	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloprotease-1				Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50098914 ((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1	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	737	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-7				Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50098914 ((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1	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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of human Matrix metalloprotease-2				Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04
					More data for this Ligand-Target Pair
Matrix metalloproteinase 13 (Rattus norvegicus)	BDBM50098914 ((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-13				Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04
					More data for this Ligand-Target Pair
Neutrophil collagenase (Homo sapiens (Human))	BDBM50098914 ((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1	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	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-8				Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50098914 ((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-3				Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04
					More data for this Ligand-Target Pair
Matrix metalloproteinase-9 (Homo sapiens (Human))	BDBM50098914 ((R)-5-Hydroxycarbamoyl-4-(4-methoxy-benzenesulfony...) Show SMILES COc1ccc(cc1)S(=O)(=O)N1CCN(CC[C@@H]1C(=O)NO)C(=O)OCc1ccccc1 Show InChI InChI=1S/C21H25N3O7S/c1-30-17-7-9-18(10-8-17)32(28,29)24-14-13-23(12-11-19(24)20(25)22-27)21(26)31-15-16-5-3-2-4-6-16/h2-10,19,27H,11-15H2,1H3,(H,22,25)/t19-/m1/s1	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	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Matrix metalloprotease-9				Bioorg Med Chem Lett 11: 1009-13 (2001) BindingDB Entry DOI: 10.7270/Q2X34Z04
					More data for this Ligand-Target Pair