Compile Data Set for Download or QSAR

Found 11 hits Enz. Inhib. hit(s) with Target = 'Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a'   

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
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM50454094 (CHEMBL4212276) Show SMILES CCN1CCc2ccc(cc12)-n1cc(C(=O)N2CCCCCC2)c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C28H33N3O4/c1-4-29-14-11-19-9-10-20(15-24(19)29)31-18-23(27(32)30-12-7-5-6-8-13-30)21-16-25(34-2)26(35-3)17-22(21)28(31)33/h9-10,15-18H,4-8,11-14H2,1-3H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM50454076 (CHEMBL4208114) Show SMILES CCN1CCc2ccc(cc12)-n1cc(C(=O)N2CCC(F)CC2)c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C27H30FN3O4/c1-4-29-10-7-17-5-6-19(13-23(17)29)31-16-22(26(32)30-11-8-18(28)9-12-30)20-14-24(34-2)25(35-3)15-21(20)27(31)33/h5-6,13-16,18H,4,7-12H2,1-3H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM50454075 (CHEMBL4214600) Show SMILES Cl.COc1cc2c(cn(-c3cccc(c3)N(C)C)c(=O)c2cc1OC)C(=O)N1CCCCCC1 Show InChI InChI=1S/C26H31N3O4/c1-27(2)18-10-9-11-19(14-18)29-17-22(25(30)28-12-7-5-6-8-13-28)20-15-23(32-3)24(33-4)16-21(20)26(29)31/h9-11,14-17H,5-8,12-13H2,1-4H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM50454073 (CHEMBL4204912) Show SMILES CCc1ccc(cc1)-n1cc(C(=O)N2CCCCCC2)c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C26H30N2O4/c1-4-18-9-11-19(12-10-18)28-17-22(25(29)27-13-7-5-6-8-14-27)20-15-23(31-2)24(32-3)16-21(20)26(28)30/h9-12,15-17H,4-8,13-14H2,1-3H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	570	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM50454074 (CHEMBL4217775) Show SMILES COc1cc2c(cn(-c3ccc(C)c(C)c3)c(=O)c2cc1OC)C(=O)N1CCCCCC1 Show InChI InChI=1S/C26H30N2O4/c1-17-9-10-19(13-18(17)2)28-16-22(25(29)27-11-7-5-6-8-12-27)20-14-23(31-3)24(32-4)15-21(20)26(28)30/h9-10,13-16H,5-8,11-12H2,1-4H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	720	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM50454077 (CHEMBL4207239) Show SMILES CCOc1ccc(cc1)-n1cc(C(=O)N2CCC(F)CC2)c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C25H27FN2O5/c1-4-33-18-7-5-17(6-8-18)28-15-21(24(29)27-11-9-16(26)10-12-27)19-13-22(31-2)23(32-3)14-20(19)25(28)30/h5-8,13-16H,4,9-12H2,1-3H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	750	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM94709 (4-(azepan-1-ylcarbonyl)-2-(4-ethoxyphenyl)-6,7-dim...) Show SMILES CCOc1ccc(cc1)-n1cc(C(=O)N2CCCCCC2)c2cc(OC)c(OC)cc2c1=O Show InChI InChI=1S/C26H30N2O5/c1-4-33-19-11-9-18(10-12-19)28-17-22(25(29)27-13-7-5-6-8-14-27)20-15-23(31-2)24(32-3)16-21(20)26(28)30/h9-12,15-17H,4-8,13-14H2,1-3H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM50454079 (CHEMBL4217825) Show SMILES COc1cc2c(cn(-c3ccc(F)cc3)c(=O)c2cc1OC)C(=O)N1CCCCCC1 Show InChI InChI=1S/C24H25FN2O4/c1-30-21-13-18-19(14-22(21)31-2)24(29)27(17-9-7-16(25)8-10-17)15-20(18)23(28)26-11-5-3-4-6-12-26/h7-10,13-15H,3-6,11-12H2,1-2H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM50454080 (CHEMBL4212113) Show SMILES CCCCCCN(C)C(=O)c1cn(-c2ccc(OCC)cc2)c(=O)c2cc(OC)c(OC)cc12 Show InChI InChI=1S/C27H34N2O5/c1-6-8-9-10-15-28(3)26(30)23-18-29(19-11-13-20(14-12-19)34-7-2)27(31)22-17-25(33-5)24(32-4)16-21(22)23/h11-14,16-18H,6-10,15H2,1-5H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM50454093 (CHEMBL4207356) Show SMILES COc1cc2c(cn(-c3ccc(cc3)C(N)=O)c(=O)c2cc1OC)C(=O)N1CCCCCC1 Show InChI InChI=1S/C25H27N3O5/c1-32-21-13-18-19(14-22(21)33-2)25(31)28(17-9-7-16(8-10-17)23(26)29)15-20(18)24(30)27-11-5-3-4-6-12-27/h7-10,13-15H,3-6,11-12H2,1-2H3,(H2,26,29)	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair
Similar to Probable G-protein coupled receptor 92 (Predicted), isoform CRA_a (Rattus norvegicus)	BDBM50454078 (CHEMBL4218964) Show SMILES COc1cc2c(cn(C(C)C)c(=O)c2cc1OC)C(=O)N1CCCCCC1 Show InChI InChI=1S/C21H28N2O4/c1-14(2)23-13-17(20(24)22-9-7-5-6-8-10-22)15-11-18(26-3)19(27-4)12-16(15)21(23)25/h11-14H,5-10H2,1-4H3	UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Astellas Pharma Inc. Curated by ChEMBL					Assay Description Antagonist activity at rat LPA5 receptor expressed in CHO cells assessed as inhibition of LPA-induced cAMP accumulation after 30 mins by Lance Ultra ...				Bioorg Med Chem 26: 257-265 (2018) Article DOI: 10.1016/j.bmc.2017.11.038 BindingDB Entry DOI: 10.7270/Q26112WP
					More data for this Ligand-Target Pair