Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'G-protein coupled receptor 4' and Ligand = 'BDBM123501'   

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))	BDBM123501 (US8748435, 26) Show SMILES CCc1nn2c(C)cc(C)nc2c1Cc1ccc(OCCN2CCN(CC2)C(=O)OC(C)(C)C)cc1 Show InChI InChI=1S/C28H39N5O3/c1-7-25-24(26-29-20(2)18-21(3)33(26)30-25)19-22-8-10-23(11-9-22)35-17-16-31-12-14-32(15-13-31)27(34)36-28(4,5)6/h8-11,18H,7,12-17,19H2,1-6H3	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	44	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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