BDBM50101727 CHEMBL61577::[3-(Acetyl-benzyl-amino)-cyclohexyl]-(4'-methoxy-biphenyl-4-sulfonylamino)-acetic acid

SMILES: COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O

InChI Key: InChIKey=CYDOQDKDFWIELG-UHFFFAOYSA-N

Data: 5 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 5 hits for monomerid = 50101727   

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
Collagenase 3 (Homo sapiens (Human))	BDBM50101727 (CHEMBL61577 | [3-(Acetyl-benzyl-amino)-cyclohexyl]...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-7-4-3-5-8-22)26-10-6-9-25(19-26)29(30(34)35)31-39(36,37)28-17-13-24(14-18-28)23-11-15-27(38-2)16-12-23/h3-5,7-8,11-18,25-26,29,31H,6,9-10,19-20H2,1-2H3,(H,34,35)	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	32	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-13				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
Matrix metalloproteinase-7 (MMP7) (Homo sapiens (Human))	BDBM50101727 (CHEMBL61577 | [3-(Acetyl-benzyl-amino)-cyclohexyl]...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-7-4-3-5-8-22)26-10-6-9-25(19-26)29(30(34)35)31-39(36,37)28-17-13-24(14-18-28)23-11-15-27(38-2)16-12-23/h3-5,7-8,11-18,25-26,29,31H,6,9-10,19-20H2,1-2H3,(H,34,35)	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	4.45E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-7				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50101727 (CHEMBL61577 | [3-(Acetyl-benzyl-amino)-cyclohexyl]...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-7-4-3-5-8-22)26-10-6-9-25(19-26)29(30(34)35)31-39(36,37)28-17-13-24(14-18-28)23-11-15-27(38-2)16-12-23/h3-5,7-8,11-18,25-26,29,31H,6,9-10,19-20H2,1-2H3,(H,34,35)	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	500	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-3				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101727 (CHEMBL61577 | [3-(Acetyl-benzyl-amino)-cyclohexyl]...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-7-4-3-5-8-22)26-10-6-9-25(19-26)29(30(34)35)31-39(36,37)28-17-13-24(14-18-28)23-11-15-27(38-2)16-12-23/h3-5,7-8,11-18,25-26,29,31H,6,9-10,19-20H2,1-2H3,(H,34,35)	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	7.91E+3	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-1				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101727 (CHEMBL61577 | [3-(Acetyl-benzyl-amino)-cyclohexyl]...) Show SMILES COc1ccc(cc1)-c1ccc(cc1)S(=O)(=O)NC(C1CCCC(C1)N(Cc1ccccc1)C(C)=O)C(O)=O Show InChI InChI=1S/C30H34N2O6S/c1-21(33)32(20-22-7-4-3-5-8-22)26-10-6-9-25(19-26)29(30(34)35)31-39(36,37)28-17-13-24(14-18-28)23-11-15-27(38-2)16-12-23/h3-5,7-8,11-18,25-26,29,31H,6,9-10,19-20H2,1-2H3,(H,34,35)	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	12	n/a	n/a	n/a	n/a	n/a	n/a
Procter and Gamble Pharmaceuticals Curated by ChEMBL					Assay Description In vitro inhibitory concentration of the compound against Matrix metalloproteinase-2				Bioorg Med Chem Lett 11: 1975-9 (2001) BindingDB Entry DOI: 10.7270/Q2S181SV
					More data for this Ligand-Target Pair