Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'RCG37580' and Ligand = 'BDBM50030790'   

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
RCG37580 (Rattus norvegicus)	BDBM50030790 (CHEMBL3342357) Show SMILES Fc1cccc(c1)S(=O)(=O)NC[C@H]1CC[C@H](CNc2nc(NC3CC3)cc(n2)-c2ccccn2)CC1 |r,wU:12.12,wD:15.16,(2.07,-15.15,;3.4,-14.39,;3.41,-12.84,;4.74,-12.07,;6.07,-12.85,;6.06,-14.39,;4.73,-15.15,;7.38,-15.16,;8.14,-16.49,;6.61,-16.48,;8.72,-14.4,;10.05,-15.18,;11.39,-14.41,;11.4,-12.87,;12.73,-12.11,;14.06,-12.88,;15.4,-12.11,;16.73,-12.89,;18.06,-12.12,;19.4,-12.89,;20.74,-12.11,;22.07,-12.88,;23.4,-12.1,;24.94,-12.09,;24.16,-10.76,;20.73,-10.57,;19.4,-9.81,;18.06,-10.58,;19.4,-8.27,;18.06,-7.5,;18.07,-5.96,;19.39,-5.19,;20.73,-5.95,;20.74,-7.5,;14.07,-14.42,;12.72,-15.19,)| Show InChI InChI=1S/C26H31FN6O2S/c27-20-4-3-5-22(14-20)36(34,35)30-17-19-9-7-18(8-10-19)16-29-26-32-24(23-6-1-2-13-28-23)15-25(33-26)31-21-11-12-21/h1-6,13-15,18-19,21,30H,7-12,16-17H2,(H2,29,31,32,33)/t18-,19-	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at rat GPR39 by IP1 assay				ACS Med Chem Lett 5: 1114-8 (2014) Article DOI: 10.1021/ml500240d BindingDB Entry DOI: 10.7270/Q2MC91MW
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