BDBM50101525 (R)-6-(4-Chloro-phenyl)-3-{(S)-2-cyclohexyl-1-[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-ethylcarbamoyl}-hexanoic acid::6-(4-Chloro-phenyl)-3-{2-cyclohexyl-1-[2-(4-sulfamoyl-phenyl)-ethylcarbamoyl]-ethylcarbamoyl}-hexanoic acid::CHEMBL420376

SMILES: NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(O)=O)cc1

InChI Key: InChIKey=LMZDADMPZWYRMS-SQHAQQRYSA-N

Data: 7 KI

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 = 50101525   

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
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101525 ((R)-6-(4-Chloro-phenyl)-3-{(S)-2-cyclohexyl-1-[2-(...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(O)=O)cc1 Show InChI InChI=1S/C30H40ClN3O6S/c31-25-13-9-21(10-14-25)7-4-8-24(20-28(35)36)29(37)34-27(19-23-5-2-1-3-6-23)30(38)33-18-17-22-11-15-26(16-12-22)41(32,39)40/h9-16,23-24,27H,1-8,17-20H2,(H,33,38)(H,34,37)(H,35,36)(H2,32,39,40)/t24-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the Gelatinase-A enzyme was determined from purified NSO cells.				Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P
					More data for this Ligand-Target Pair
72 kDa type IV collagenase (Homo sapiens (Human))	BDBM50101525 ((R)-6-(4-Chloro-phenyl)-3-{(S)-2-cyclohexyl-1-[2-(...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(O)=O)cc1 Show InChI InChI=1S/C30H40ClN3O6S/c31-25-13-9-21(10-14-25)7-4-8-24(20-28(35)36)29(37)34-27(19-23-5-2-1-3-6-23)30(38)33-18-17-22-11-15-26(16-12-22)41(32,39)40/h9-16,23-24,27H,1-8,17-20H2,(H,33,38)(H,34,37)(H,35,36)(H2,32,39,40)/t24-,27+/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	1.03	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-2				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50101525 ((R)-6-(4-Chloro-phenyl)-3-{(S)-2-cyclohexyl-1-[2-(...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(O)=O)cc1 Show InChI InChI=1S/C30H40ClN3O6S/c31-25-13-9-21(10-14-25)7-4-8-24(20-28(35)36)29(37)34-27(19-23-5-2-1-3-6-23)30(38)33-18-17-22-11-15-26(16-12-22)41(32,39)40/h9-16,23-24,27H,1-8,17-20H2,(H,33,38)(H,34,37)(H,35,36)(H2,32,39,40)/t24-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	358	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the Stromelysin enzyme was determined from purified NSO cells.				Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P
					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50101525 ((R)-6-(4-Chloro-phenyl)-3-{(S)-2-cyclohexyl-1-[2-(...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(O)=O)cc1 Show InChI InChI=1S/C30H40ClN3O6S/c31-25-13-9-21(10-14-25)7-4-8-24(20-28(35)36)29(37)34-27(19-23-5-2-1-3-6-23)30(38)33-18-17-22-11-15-26(16-12-22)41(32,39)40/h9-16,23-24,27H,1-8,17-20H2,(H,33,38)(H,34,37)(H,35,36)(H2,32,39,40)/t24-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	358	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-3				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101525 ((R)-6-(4-Chloro-phenyl)-3-{(S)-2-cyclohexyl-1-[2-(...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(O)=O)cc1 Show InChI InChI=1S/C30H40ClN3O6S/c31-25-13-9-21(10-14-25)7-4-8-24(20-28(35)36)29(37)34-27(19-23-5-2-1-3-6-23)30(38)33-18-17-22-11-15-26(16-12-22)41(32,39)40/h9-16,23-24,27H,1-8,17-20H2,(H,33,38)(H,34,37)(H,35,36)(H2,32,39,40)/t24-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pomona College Curated by ChEMBL					Assay Description Inhibition of MMP1				Bioorg Med Chem 15: 2223-68 (2007) Article DOI: 10.1016/j.bmc.2007.01.011 BindingDB Entry DOI: 10.7270/Q2571DBD
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101525 ((R)-6-(4-Chloro-phenyl)-3-{(S)-2-cyclohexyl-1-[2-(...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(O)=O)cc1 Show InChI InChI=1S/C30H40ClN3O6S/c31-25-13-9-21(10-14-25)7-4-8-24(20-28(35)36)29(37)34-27(19-23-5-2-1-3-6-23)30(38)33-18-17-22-11-15-26(16-12-22)41(32,39)40/h9-16,23-24,27H,1-8,17-20H2,(H,33,38)(H,34,37)(H,35,36)(H2,32,39,40)/t24-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Royal Danish School of Pharmacy Curated by ChEMBL					Assay Description Inhibitory constant against matrix metalloproteinase-1				J Med Chem 44: 2333-43 (2001) BindingDB Entry DOI: 10.7270/Q2JH3KFR
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50101525 ((R)-6-(4-Chloro-phenyl)-3-{(S)-2-cyclohexyl-1-[2-(...) Show SMILES NS(=O)(=O)c1ccc(CCNC(=O)[C@H](CC2CCCCC2)NC(=O)[C@H](CCCc2ccc(Cl)cc2)CC(O)=O)cc1 Show InChI InChI=1S/C30H40ClN3O6S/c31-25-13-9-21(10-14-25)7-4-8-24(20-28(35)36)29(37)34-27(19-23-5-2-1-3-6-23)30(38)33-18-17-22-11-15-26(16-12-22)41(32,39)40/h9-16,23-24,27H,1-8,17-20H2,(H,33,38)(H,34,37)(H,35,36)(H2,32,39,40)/t24-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	5.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inhibition of the Collagenase enzyme was determined from purified NSO cells.				Bioorg Med Chem Lett 4: 2747-2752 (1994) Article DOI: 10.1016/S0960-894X(01)80588-6 BindingDB Entry DOI: 10.7270/Q2JH3M3P
					More data for this Ligand-Target Pair