Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Motilin receptor' and Ligand = 'BDBM50199385'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Motilin receptor (Homo sapiens (Human))	BDBM50199385 ((9R,12R,15S)-9-(4-hydroxy-benzyl)-12-isopropyl-15-...) Show SMILES CCC[C@@H]1NC(=O)[C@H](NC[C@@H](Cc2ccc(O)cc2)NCCOc2ccccc2CCCNC1=O)C(C)C Show InChI InChI=1S/C30H44N4O4/c1-4-8-26-29(36)32-16-7-10-23-9-5-6-11-27(23)38-18-17-31-24(19-22-12-14-25(35)15-13-22)20-33-28(21(2)3)30(37)34-26/h5-6,9,11-15,21,24,26,28,31,33,35H,4,7-8,10,16-20H2,1-3H3,(H,32,36)(H,34,37)/t24-,26+,28-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.24E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Tranzyme Pharma Inc. Curated by ChEMBL					Assay Description Displacement of [125I]motilin from human MOTR				J Med Chem 49: 7190-7 (2006) Article DOI: 10.1021/jm0606600 BindingDB Entry DOI: 10.7270/Q2251JZH
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