BDBM50101505 3-(3-{2-[5-(4-Chloro-phenyl)-2-hydroxycarbamoylmethyl-pentanoylamino]-3-cyclohexyl-propionylamino}-propionylamino)-propionic acid methyl ester::CHEMBL308533

SMILES: COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO

InChI Key: InChIKey=ZAYGCPGBYLINSH-VWNXMTODSA-N

Data: 3 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 3 hits for monomerid = 50101505   

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))	BDBM50101505 (3-(3-{2-[5-(4-Chloro-phenyl)-2-hydroxycarbamoylmet...) Show SMILES COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Show InChI InChI=1S/C29H43ClN4O7/c1-41-27(37)15-17-31-25(35)14-16-32-29(39)24(18-21-6-3-2-4-7-21)33-28(38)22(19-26(36)34-40)9-5-8-20-10-12-23(30)13-11-20/h10-13,21-22,24,40H,2-9,14-19H2,1H3,(H,31,35)(H,32,39)(H,33,38)(H,34,36)/t22-,24+/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	0.0100	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))	BDBM50101505 (3-(3-{2-[5-(4-Chloro-phenyl)-2-hydroxycarbamoylmet...) Show SMILES COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Show InChI InChI=1S/C29H43ClN4O7/c1-41-27(37)15-17-31-25(35)14-16-32-29(39)24(18-21-6-3-2-4-7-21)33-28(38)22(19-26(36)34-40)9-5-8-20-10-12-23(30)13-11-20/h10-13,21-22,24,40H,2-9,14-19H2,1H3,(H,31,35)(H,32,39)(H,33,38)(H,34,36)/t22-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.960	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))	BDBM50101505 (3-(3-{2-[5-(4-Chloro-phenyl)-2-hydroxycarbamoylmet...) Show SMILES COC(=O)CCNC(=O)CCNC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CCCc1ccc(Cl)cc1)CC(=O)NO Show InChI InChI=1S/C29H43ClN4O7/c1-41-27(37)15-17-31-25(35)14-16-32-29(39)24(18-21-6-3-2-4-7-21)33-28(38)22(19-26(36)34-40)9-5-8-20-10-12-23(30)13-11-20/h10-13,21-22,24,40H,2-9,14-19H2,1H3,(H,31,35)(H,32,39)(H,33,38)(H,34,36)/t22-,24+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	135	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