Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'RCG37580'   

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)	BDBM50030788 (CHEMBL3342358) Show SMILES CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(n1)-c1ccccn1 Show InChI InChI=1S/C18H19ClN6O2S/c1-20-18-23-16(15-5-3-4-8-21-15)10-17(24-18)22-11-12-6-7-13(9-14(12)19)25-28(2,26)27/h3-10,25H,11H2,1-2H3,(H2,20,22,23,24)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.400	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
					More data for this Ligand-Target Pair
RCG37580 (Rattus norvegicus)	BDBM50030789 (CHEMBL3341764) Show SMILES Fc1cccc(c1)S(=O)(=O)NC[C@H]1CC[C@H](CNc2cc(nc(NC3CC3)n2)-c2ccccn2)CC1 |r,wU:12.12,wD:15.16,(-.16,-17.24,;1.18,-16.47,;1.18,-14.92,;2.52,-14.16,;3.85,-14.93,;3.83,-16.48,;2.51,-17.24,;5.16,-17.24,;5.92,-18.57,;4.39,-18.57,;6.5,-16.49,;7.83,-17.26,;9.17,-16.5,;9.18,-14.96,;10.51,-14.2,;11.84,-14.97,;13.17,-14.2,;14.5,-14.97,;15.84,-14.2,;15.84,-12.66,;17.18,-11.89,;18.51,-12.66,;18.51,-14.19,;19.85,-14.96,;21.18,-14.19,;22.71,-14.17,;21.94,-12.84,;17.17,-14.97,;17.17,-10.36,;15.84,-9.59,;15.84,-8.04,;17.17,-7.27,;18.51,-8.04,;18.51,-9.59,;11.84,-16.51,;10.5,-17.27,)| 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)16-29-25-15-24(23-6-1-2-13-28-23)32-26(33-25)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	1	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
					More data for this Ligand-Target Pair
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
					More data for this Ligand-Target Pair
RCG37580 (Rattus norvegicus)	BDBM16 (Zn2+ | zinc(2+) ion) Show SMILES [Zn++] Show InChI InChI=1S/Zn/q+2	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase MCE KEGG MMDB PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	n/a	n/a	4.04E+3	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at rat GPR39 expressed in HEK293 cells by IP1 assay				ACS Med Chem Lett 5: 1114-8 (2014) Article DOI: 10.1021/ml500240d BindingDB Entry DOI: 10.7270/Q2MC91MW
					More data for this Ligand-Target Pair
RCG37580 (Rattus norvegicus)	BDBM50030777 (CHEMBL3342376) Show SMILES CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2)cc(n1)-c1ccccn1 Show InChI InChI=1S/C18H20N6O2S/c1-19-18-22-16(15-5-3-4-10-20-15)11-17(23-18)21-12-13-6-8-14(9-7-13)24-27(2,25)26/h3-11,24H,12H2,1-2H3,(H2,19,21,22,23)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at rat GPR39 expressed in HEK293 cells by IP1 assay				ACS Med Chem Lett 5: 1114-8 (2014) Article DOI: 10.1021/ml500240d BindingDB Entry DOI: 10.7270/Q2MC91MW
					More data for this Ligand-Target Pair
RCG37580 (Rattus norvegicus)	BDBM50030776 (CHEMBL3342377) Show SMILES CNc1nc(NCc2ccc(NC(C)=O)cc2)cc(n1)-c1ccccn1 Show InChI InChI=1S/C19H20N6O/c1-13(26)23-15-8-6-14(7-9-15)12-22-18-11-17(24-19(20-2)25-18)16-5-3-4-10-21-16/h3-11H,12H2,1-2H3,(H,23,26)(H2,20,22,24,25)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at rat GPR39 expressed in HEK293 cells by IP1 assay				ACS Med Chem Lett 5: 1114-8 (2014) Article DOI: 10.1021/ml500240d BindingDB Entry DOI: 10.7270/Q2MC91MW
					More data for this Ligand-Target Pair
RCG37580 (Rattus norvegicus)	BDBM50030774 (CHEMBL3342379) Show SMILES CNc1nc(NCc2ccc(NC(C)=O)cc2F)cc(n1)-c1ccccn1 Show InChI InChI=1S/C19H19FN6O/c1-12(27)24-14-7-6-13(15(20)9-14)11-23-18-10-17(25-19(21-2)26-18)16-5-3-4-8-22-16/h3-10H,11H2,1-2H3,(H,24,27)(H2,21,23,25,26)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.600	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at rat GPR39 expressed in HEK293 cells by IP1 assay				ACS Med Chem Lett 5: 1114-8 (2014) Article DOI: 10.1021/ml500240d BindingDB Entry DOI: 10.7270/Q2MC91MW
					More data for this Ligand-Target Pair
RCG37580 (Rattus norvegicus)	BDBM50030788 (CHEMBL3342358) Show SMILES CNc1nc(NCc2ccc(NS(C)(=O)=O)cc2Cl)cc(n1)-c1ccccn1 Show InChI InChI=1S/C18H19ClN6O2S/c1-20-18-23-16(15-5-3-4-8-21-15)10-17(24-18)22-11-12-6-7-13(9-14(12)19)25-28(2,26)27/h3-10,25H,11H2,1-2H3,(H2,20,22,23,24)	KEGG UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	0.400	n/a	n/a	n/a	n/a
Novartis Institutes for BioMedical Research Curated by ChEMBL					Assay Description Agonist activity at rat GPR39 expressed in HEK293 cells by IP1 assay				ACS Med Chem Lett 5: 1114-8 (2014) Article DOI: 10.1021/ml500240d BindingDB Entry DOI: 10.7270/Q2MC91MW
					More data for this Ligand-Target Pair