Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Motilin receptor' and Ligand = 'BDBM50199349'   

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))	BDBM50199349 ((E)-(3S,6R,9R)-9-(4-hydroxy-benzyl)-6-isopropyl-3-...) Show SMILES CCC[C@@H]1NC(=O)[C@H](NC(=O)[C@@H](Cc2ccc(O)cc2)NC\C=C\CCNC1=O)C(C)C |t:23| Show InChI InChI=1S/C24H36N4O4/c1-4-8-19-22(30)26-14-7-5-6-13-25-20(15-17-9-11-18(29)12-10-17)23(31)28-21(16(2)3)24(32)27-19/h5-6,9-12,16,19-21,25,29H,4,7-8,13-15H2,1-3H3,(H,26,30)(H,27,32)(H,28,31)/b6-5+/t19-,20+,21+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	701	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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