BDBM50367929 CHEMBL1744401

SMILES: CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC([O-])=O

InChI Key: InChIKey=VHNIWNBTKNHTTH-HRKCMRQESA-L

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 = 50367929   

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
Angiotensin-converting enzyme (Oryctolagus cuniculus)	BDBM50367929 (CHEMBL1744401) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC([O-])=O |r| Show InChI InChI=1S/C26H36N3O8P/c1-4-18(3)24(29-38(34,35)37-5-2)26(33)28-22(25(32)27-16-23(30)31)15-19-11-13-21(14-12-19)36-17-20-9-7-6-8-10-20/h6-14,18,22,24H,4-5,15-17H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)(H2,29,34,35)/p-2/t18-,22?,24-/m0/s1	MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibitory activity against Angiotensin I converting enzyme				J Med Chem 33: 263-73 (1990) BindingDB Entry DOI: 10.7270/Q2J9670V
					More data for this Ligand-Target Pair
Microbial collagenase (Clostridium perfringens)	BDBM50367929 (CHEMBL1744401) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC([O-])=O |r| Show InChI InChI=1S/C26H36N3O8P/c1-4-18(3)24(29-38(34,35)37-5-2)26(33)28-22(25(32)27-16-23(30)31)15-19-11-13-21(14-12-19)36-17-20-9-7-6-8-10-20/h6-14,18,22,24H,4-5,15-17H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)(H2,29,34,35)/p-2/t18-,22?,24-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by ChEMBL					Assay Description Inhibition of bacterial Collagenase				J Med Chem 33: 263-73 (1990) BindingDB Entry DOI: 10.7270/Q2J9670V
					More data for this Ligand-Target Pair
Interstitial collagenase (Homo sapiens (Human))	BDBM50367929 (CHEMBL1744401) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC([O-])=O |r| Show InChI InChI=1S/C26H36N3O8P/c1-4-18(3)24(29-38(34,35)37-5-2)26(33)28-22(25(32)27-16-23(30)31)15-19-11-13-21(14-12-19)36-17-20-9-7-6-8-10-20/h6-14,18,22,24H,4-5,15-17H2,1-3H3,(H,27,32)(H,28,33)(H,30,31)(H2,29,34,35)/p-2/t18-,22?,24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
University of Kentucky Curated by ChEMBL					Assay Description Assayed against human skin fibroblast Collagenase using the spectrophotometric assay with the thiol ester substrate at pH 6.5.				J Med Chem 33: 263-73 (1990) BindingDB Entry DOI: 10.7270/Q2J9670V
					More data for this Ligand-Target Pair