BDBM50015076 CHEMBL367251::benzyl 2-[1-{1-[1-(1-amino-2-hydroxyethylcarboxamido)-2-carbamoylethylcarboxamido]-2-methylpropylcarboxamido}-2-(4-phenylphenyl)ethylcarboxamido]propanoate

SMILES: CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1

InChI Key: InChIKey=YPUZIEPVYQWQTH-HCFKQQSISA-N

Data: 2 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 2 hits for monomerid = 50015076   

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
Myosin light chain kinase, smooth muscle (Gallus gallus (chicken))	BDBM50015076 (CHEMBL367251 | benzyl 2-[1-{1-[1-(1-amino-2-hydrox...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C37H46N6O8/c1-22(2)32(43-35(48)30(19-31(39)45)41-33(46)28(38)20-44)36(49)42-29(18-24-14-16-27(17-15-24)26-12-8-5-9-13-26)34(47)40-23(3)37(50)51-21-25-10-6-4-7-11-25/h4-17,22-23,28-30,32,44H,18-21,38H2,1-3H3,(H2,39,45)(H,40,47)(H,41,46)(H,42,49)(H,43,48)/t23-,28-,29-,30-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Curated by ChEMBL					Assay Description Inhibition of calmodulin-independent form of MLCK(myosin light chain kinase) from chicken gizzard				J Med Chem 33: 964-72 (1990) BindingDB Entry DOI: 10.7270/Q21N803V
					More data for this Ligand-Target Pair
Myosin light chain kinase, smooth muscle (Gallus gallus (chicken))	BDBM50015076 (CHEMBL367251 | benzyl 2-[1-{1-[1-(1-amino-2-hydrox...) Show SMILES CC(C)[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](N)CO)C(=O)N[C@@H](Cc1ccc(cc1)-c1ccccc1)C(=O)N[C@@H](C)C(=O)OCc1ccccc1 Show InChI InChI=1S/C37H46N6O8/c1-22(2)32(43-35(48)30(19-31(39)45)41-33(46)28(38)20-44)36(49)42-29(18-24-14-16-27(17-15-24)26-12-8-5-9-13-26)34(47)40-23(3)37(50)51-21-25-10-6-4-7-11-25/h4-17,22-23,28-30,32,44H,18-21,38H2,1-3H3,(H2,39,45)(H,40,47)(H,41,46)(H,42,49)(H,43,48)/t23-,28-,29-,30-,32-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Curated by ChEMBL					Assay Description Inhibition of native form of chicken MLCK (myosin light chain kinase)				J Med Chem 33: 964-72 (1990) BindingDB Entry DOI: 10.7270/Q21N803V
					More data for this Ligand-Target Pair