Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 4' and Ligand = 'BDBM123491'   

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
G-protein coupled receptor 4 (Homo sapiens (Human))	BDBM123491 (US8748435, 16) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(\C=C\CN2CCN(CC2)C(=O)[C@H]2NCC[C@H]2O)cc1 |r| Show InChI InChI=1S/C29H38N6O2/c1-4-25-24(28-31-20(2)18-21(3)35(28)32-25)19-23-9-7-22(8-10-23)6-5-13-33-14-16-34(17-15-33)29(37)27-26(36)11-12-30-27/h5-10,18,26-27,30,36H,4,11-17,19H2,1-3H3/b6-5+/t26-,27+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	8.0	n/a
Novartis AG US Patent					Assay Description Serial dilutions of compounds (stock in 10 mM DMSO) are prepared by first diluting the compounds in DMSO followed by a 1:50 dilution into assay buffe...				US Patent US8748435 (2014) BindingDB Entry DOI: 10.7270/Q2F18XDK
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