BDBM50013124 N-(Ethylphosphoryl)-L-isoleucyl-L-Trp-NHCH3

SMILES: CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC

InChI Key: InChIKey=IHAZHCJWGLQJQS-VCMPKCBFSA-M

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 = 50013124   

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))	BDBM50013124 (N-(Ethylphosphoryl)-L-isoleucyl-L-Trp-NHCH3) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C20H31N4O5P/c1-5-13(3)18(24-30(27,28)29-6-2)20(26)23-17(19(25)21-4)11-14-12-22-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,22H,5-6,11H2,1-4H3,(H,21,25)(H,23,26)(H2,24,27,28)/p-1/t13-,17?,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	900	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
Interstitial collagenase (Homo sapiens (Human))	BDBM50013124 (N-(Ethylphosphoryl)-L-isoleucyl-L-Trp-NHCH3) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C20H31N4O5P/c1-5-13(3)18(24-30(27,28)29-6-2)20(26)23-17(19(25)21-4)11-14-12-22-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,22H,5-6,11H2,1-4H3,(H,21,25)(H,23,26)(H2,24,27,28)/p-1/t13-,17?,18-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.50E+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
Microbial collagenase (Clostridium perfringens)	BDBM50013124 (N-(Ethylphosphoryl)-L-isoleucyl-L-Trp-NHCH3) Show SMILES CCOP([O-])(=O)N[C@@H]([C@@H](C)CC)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC Show InChI InChI=1S/C20H31N4O5P/c1-5-13(3)18(24-30(27,28)29-6-2)20(26)23-17(19(25)21-4)11-14-12-22-16-10-8-7-9-15(14)16/h7-10,12-13,17-18,22H,5-6,11H2,1-4H3,(H,21,25)(H,23,26)(H2,24,27,28)/p-1/t13-,17?,18-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	>5.00E+6	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