Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Motilin receptor' and Ligand = 'BDBM50199372'   

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))	BDBM50199372 ((9R,12R,15S)-12-isopropyl-9-naphthalen-1-ylmethyl-...) Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2cccc3ccccc23)NCCOc2ccccc2CCCNC1=O)C(C)C Show InChI InChI=1S/C34H44N4O4/c1-4-11-28-32(39)36-19-10-16-25-13-6-8-18-30(25)42-21-20-35-29(33(40)38-31(23(2)3)34(41)37-28)22-26-15-9-14-24-12-5-7-17-27(24)26/h5-9,12-15,17-18,23,28-29,31,35H,4,10-11,16,19-22H2,1-3H3,(H,36,39)(H,37,41)(H,38,40)/t28-,29+,31+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.30	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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