Compile Data Set for Download or QSAR

Found 891 hits of ic50 for UniProtKB: P19793   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276467 (5-Chloro-2-[[1-[3-(difluoromethyl)-4-fluoro-phenyl...) Show SMILES Cc1nc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)ncc1Cl Show InChI InChI=1S/C15H11ClF3N5O/c1-8-12(16)5-20-15(21-8)25-7-9-6-24(23-22-9)10-2-3-13(17)11(4-10)14(18)19/h2-6,14H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276124 (2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1 Show InChI InChI=1S/C15H12ClF2N5O/c1-9-5-19-15(20-6-9)24-8-10-7-23(22-21-10)11-2-3-13(16)12(4-11)14(17)18/h2-7,14H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276506 (2-[[1-[4-Fluoro-3-(trifluoromethyl)phenyl]triazol-...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)(F)F)nc1C Show InChI InChI=1S/C16H13F4N5O/c1-9-6-21-15(22-10(9)2)26-8-11-7-25(24-23-11)12-3-4-14(17)13(5-12)16(18,19)20/h3-7H,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276535 (2-[[1-(4-Fluoro-3-methyl-phenyl)triazol-4-yl]metho...) Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(F)c(C)c2)nc1 Show InChI InChI=1S/C15H14FN5O2/c1-10-5-12(3-4-14(10)16)21-8-11(19-20-21)9-23-15-17-6-13(22-2)7-18-15/h3-8H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276537 (2-[[1-(4-Fluoro-3-methyl-phenyl)triazol-4-yl]metho...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(C)c2)nc1 Show InChI InChI=1S/C15H14FN5O/c1-10-6-17-15(18-7-10)22-9-12-8-21(20-19-12)13-3-4-14(16)11(2)5-13/h3-8H,9H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276538 (5-Ethyl-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4-...) Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(F)c(C)c2)nc1 Show InChI InChI=1S/C16H16FN5O/c1-3-12-7-18-16(19-8-12)23-10-13-9-22(21-20-13)14-4-5-15(17)11(2)6-14/h4-9H,3,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276540 (2-[[1-(4-Fluoro-3-methyl-phenyl)triazol-4-yl]metho...) Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(C)c(C)n2)nn1 Show InChI InChI=1S/C16H16FN5O/c1-10-6-14(4-5-15(10)17)22-8-13(20-21-22)9-23-16-18-7-11(2)12(3)19-16/h4-8H,9H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276542 (5-Chloro-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4...) Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(Cl)c(C)n2)nn1 Show InChI InChI=1S/C15H13ClFN5O/c1-9-5-12(3-4-14(9)17)22-7-11(20-21-22)8-23-15-18-6-13(16)10(2)19-15/h3-7H,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276133 (2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...) Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1 Show InChI InChI=1S/C15H13BrFN5O/c1-2-10-6-18-15(19-7-10)23-9-11-8-22(21-20-11)12-3-4-14(17)13(16)5-12/h3-8H,2,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276134 (2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...) Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1 Show InChI InChI=1S/C14H11BrFN5O2/c1-22-11-5-17-14(18-6-11)23-8-9-7-21(20-19-9)10-2-3-13(16)12(15)4-10/h2-7H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276139 (2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...) Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1 Show InChI InChI=1S/C15H12ClF2N5O2/c1-24-11-5-19-15(20-6-11)25-8-9-7-23(22-21-9)10-2-3-13(16)12(4-10)14(17)18/h2-7,14H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276144 (2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1 Show InChI InChI=1S/C15H12F3N5O/c1-9-5-19-15(20-6-9)24-8-10-7-23(22-21-10)11-2-3-13(16)12(4-11)14(17)18/h2-7,14H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276468 (2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...) Show SMILES Cc1nc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)ncc1F Show InChI InChI=1S/C15H11F4N5O/c1-8-13(17)5-20-15(21-8)25-7-9-6-24(23-22-9)10-2-3-12(16)11(4-10)14(18)19/h2-6,14H,7H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50129731 (7-[2-(2,2-Difluoro-ethoxy)-3,5-diisopropyl-phenyl]...) Show SMILES CC(C)c1cc(C(C)C)c(OCC(F)F)c(c1)C(\C)=C/C=C/C(/C)=C/C(O)=O Show InChI InChI=1S/C23H30F2O3/c1-14(2)18-11-19(15(3)4)23(28-13-21(24)25)20(12-18)17(6)9-7-8-16(5)10-22(26)27/h7-12,14-15,21H,13H2,1-6H3,(H,26,27)/b8-7+,16-10+,17-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals, Inc Curated by ChEMBL					Assay Description Inhibitory activity against Retinoic acid receptor RXR-alpha antagonist was determined in vitro				J Med Chem 46: 2683-96 (2003) Article DOI: 10.1021/jm020340q BindingDB Entry DOI: 10.7270/Q27H1HZ3
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276109 (2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1 Show InChI InChI=1S/C14H11BrFN5O/c1-9-5-17-14(18-6-9)22-8-10-7-21(20-19-10)11-2-3-13(16)12(15)4-11/h2-7H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50135453 ((2E,4E,6Z)-7-[2-(2,2-Difluoro-ethoxy)-3-isopropyl-...) Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cccs1 Show InChI InChI=1S/C24H26F2O3S/c1-15(2)19-12-18(21-9-6-10-30-21)13-20(24(19)29-14-22(25)26)17(4)8-5-7-16(3)11-23(27)28/h5-13,15,22H,14H2,1-4H3,(H,27,28)/b7-5+,16-11+,17-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro agonist efficacy against PPAR gamma along with 100 nM BRL49653				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276469 (2-[[1-[3-(Difluoromethyl)-4-fluoro-phenyl]triazol-...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1C Show InChI InChI=1S/C16H14F3N5O/c1-9-6-20-16(21-10(9)2)25-8-11-7-24(23-22-11)12-3-4-14(17)13(5-12)15(18)19/h3-7,15H,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276536 (5-Chloro-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4...) Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(Cl)cn2)nn1 Show InChI InChI=1S/C14H11ClFN5O/c1-9-4-12(2-3-13(9)16)21-7-11(19-20-21)8-22-14-17-5-10(15)6-18-14/h2-7H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276541 (5-Fluoro-2-[[1-(4-fluoro-3-methyl-phenyl)triazol-4...) Show SMILES Cc1cc(ccc1F)-n1cc(COc2ncc(F)c(C)n2)nn1 Show InChI InChI=1S/C15H13F2N5O/c1-9-5-12(3-4-13(9)16)22-7-11(20-21-22)8-23-15-18-6-14(17)10(2)19-15/h3-7H,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276363 (2-[[1-[3-(1,1-Difluoroethyl)phenyl]triazol-4-yl]me...) Show SMILES CC(F)(F)c1cccc(c1)-n1cc(COc2ncc(cn2)C(F)F)nn1 Show InChI InChI=1S/C16H13F4N5O/c1-16(19,20)11-3-2-4-13(5-11)25-8-12(23-24-25)9-26-15-21-6-10(7-22-15)14(17)18/h2-8,14H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276121 (5-Chloro-2-[[1-[4-chloro-3-(difluoromethoxy)phenyl...) Show SMILES FC(F)Oc1cc(ccc1Cl)-n1cc(COc2ncc(Cl)cn2)nn1 Show InChI InChI=1S/C14H9Cl2F2N5O2/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-11(16)12(3-10)25-13(17)18/h1-6,13H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276125 (2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...) Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1 Show InChI InChI=1S/C16H14ClF2N5O/c1-2-10-6-20-16(21-7-10)25-9-11-8-24(23-22-11)12-3-4-14(17)13(5-12)15(18)19/h3-8,15H,2,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276312 (4,5-Dimethyl-2-[[1-(m-tolyl)triazol-4-yl]methoxy]p...) Show SMILES Cc1cccc(c1)-n1cc(COc2ncc(C)c(C)n2)nn1 Show InChI InChI=1S/C16H17N5O/c1-11-5-4-6-15(7-11)21-9-14(19-20-21)10-22-16-17-8-12(2)13(3)18-16/h4-9H,10H2,1-3H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276114 (2-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-...) Show SMILES Cc1ccnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)n1 Show InChI InChI=1S/C15H12ClF2N5O2/c1-9-4-5-19-15(20-9)24-8-10-7-23(22-21-10)11-2-3-12(16)13(6-11)25-14(17)18/h2-7,14H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276115 (2-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)nc1 Show InChI InChI=1S/C15H12ClF2N5O2/c1-9-5-19-15(20-6-9)24-8-10-7-23(22-21-10)11-2-3-12(16)13(4-11)25-14(17)18/h2-7,14H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50135460 ((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-4'-fluoro-5-...) Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccc(F)cc1 Show InChI InChI=1S/C26H27F3O3/c1-16(2)22-13-20(19-8-10-21(27)11-9-19)14-23(26(22)32-15-24(28)29)18(4)7-5-6-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b6-5+,17-12+,18-7-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro anatagonist activity against RXR alpha in CV-1 cells				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276594 (2-[[1-[4-Chloro-3-(1,1-difluoroethyl)phenyl]triazo...) Show SMILES COCc1ccnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(C)(F)F)n1 Show InChI InChI=1S/C17H16ClF2N5O2/c1-17(19,20)14-7-13(3-4-15(14)18)25-8-12(23-24-25)10-27-16-21-6-5-11(22-16)9-26-2/h3-8H,9-10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276119 (2-[[1-[4-Chloro-3-(difluoromethoxy)phenyl]triazol-...) Show SMILES COc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(OC(F)F)c2)nc1 Show InChI InChI=1S/C15H12ClF2N5O3/c1-24-11-5-19-15(20-6-11)25-8-9-7-23(22-21-9)10-2-3-12(16)13(4-10)26-14(17)18/h2-7,14H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276466 (5-(Difluoromethoxy)-2-[[1-[3-(difluoromethyl)-4-fl...) Show SMILES FC(F)Oc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)F)nc1 Show InChI InChI=1S/C15H10F5N5O2/c16-12-2-1-9(3-11(12)13(17)18)25-6-8(23-24-25)7-26-15-21-4-10(5-22-15)27-14(19)20/h1-6,13-14H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276554 (5-Bromo-2-[[1-[3-(difluoromethoxy)-4-fluoro-phenyl...) Show SMILES FC(F)Oc1cc(ccc1F)-n1cc(COc2ncc(Br)cn2)nn1 Show InChI InChI=1S/C14H9BrF3N5O2/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-11(16)12(3-10)25-13(17)18/h1-6,13H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276569 (4-(Azetidin-1-yl)-2-[[1-[3-(difluoromethoxy)-4-flu...) Show SMILES FC(F)Oc1cc(ccc1F)-n1cc(COc2nccc(n2)N2CCC2)nn1 Show InChI InChI=1S/C17H15F3N6O2/c18-13-3-2-12(8-14(13)28-16(19)20)26-9-11(23-24-26)10-27-17-21-5-4-15(22-17)25-6-1-7-25/h2-5,8-9,16H,1,6-7,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276367 (2-[[1-[3-(1,1-Difluoroethyl)phenyl]triazol-4-yl]me...) Show SMILES COc1cnc(OCc2cn(nn2)-c2cccc(c2)C(C)(F)F)nc1 Show InChI InChI=1S/C16H15F2N5O2/c1-16(17,18)11-4-3-5-13(6-11)23-9-12(21-22-23)10-25-15-19-7-14(24-2)8-20-15/h3-9H,10H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276369 (2-[[1-[3-(1,1-Difluoroethyl)phenyl]triazol-4-yl]me...) Show SMILES CC(F)(F)c1cccc(c1)-n1cc(COc2ncc(OC(F)F)cn2)nn1 Show InChI InChI=1S/C16H13F4N5O2/c1-16(19,20)10-3-2-4-12(5-10)25-8-11(23-24-25)9-26-15-21-6-13(7-22-15)27-14(17)18/h2-8,14H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276459 (5-Bromo-2-[[1-[3-(difluoromethyl)-4-fluoro-phenyl]...) Show SMILES FC(F)c1cc(ccc1F)-n1cc(COc2ncc(Br)cn2)nn1 Show InChI InChI=1S/C14H9BrF3N5O/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-12(16)11(3-10)13(17)18/h1-6,13H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276340 (5-Chloro-2-[[1-[3-(difluoromethyl)phenyl]triazol-4...) Show SMILES Cc1nc(OCc2cn(nn2)-c2cccc(c2)C(F)F)ncc1Cl Show InChI InChI=1S/C15H12ClF2N5O/c1-9-13(16)6-19-15(20-9)24-8-11-7-23(22-21-11)12-4-2-3-10(5-12)14(17)18/h2-7,14H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276355 (5-Chloro-2-[[1-[3-(1,1-difluoroethyl)phenyl]triazo...) Show SMILES CC(F)(F)c1cccc(c1)-n1cc(COc2ncc(Cl)cn2)nn1 Show InChI InChI=1S/C15H12ClF2N5O/c1-15(17,18)10-3-2-4-13(5-10)23-8-12(21-22-23)9-24-14-19-6-11(16)7-20-14/h2-8H,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276135 (2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...) Show SMILES Fc1ccc(cc1Br)-n1cc(COc2ncc(Cl)cn2)nn1 Show InChI InChI=1S/C13H8BrClFN5O/c14-11-3-10(1-2-12(11)16)21-6-9(19-20-21)7-22-13-17-4-8(15)5-18-13/h1-6H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276140 (5-Chloro-2-[[1-[4-chloro-3-(difluoromethyl)phenyl]...) Show SMILES FC(F)c1cc(ccc1Cl)-n1cc(COc2ncc(Cl)cn2)nn1 Show InChI InChI=1S/C14H9Cl2F2N5O/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-12(16)11(3-10)13(17)18/h1-6,13H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276142 (5-Chloro-2-[[1-[3-(difluoromethyl)-4-fluoro-phenyl...) Show SMILES FC(F)c1cc(ccc1F)-n1cc(COc2ncc(Cl)cn2)nn1 Show InChI InChI=1S/C14H9ClF3N5O/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-12(16)11(3-10)13(17)18/h1-6,13H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276154 (5-Chloro-2-[[1-[3-(difluoromethoxy)-4-fluoro-pheny...) Show SMILES FC(F)Oc1cc(ccc1F)-n1cc(COc2ncc(Cl)cn2)nn1 Show InChI InChI=1S/C14H9ClF3N5O2/c15-8-4-19-14(20-5-8)24-7-9-6-23(22-21-9)10-1-2-11(16)12(3-10)25-13(17)18/h1-6,13H,7H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276156 (2-[[1-[3-(Difluoromethoxy)-4-fluoro-phenyl]triazol...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(OC(F)F)c2)nc1 Show InChI InChI=1S/C15H12F3N5O2/c1-9-5-19-15(20-6-9)24-8-10-7-23(22-21-10)11-2-3-12(16)13(4-11)25-14(17)18/h2-7,14H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276174 (2-[[1-[4-Fluoro-3-(trifluoromethyl)phenyl]triazol-...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)(F)F)nc1 Show InChI InChI=1S/C15H11F4N5O/c1-9-5-20-14(21-6-9)25-8-10-7-24(23-22-10)11-2-3-13(16)12(4-11)15(17,18)19/h2-7H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276178 (2-[[1-(3-Bromo-4-fluoro-phenyl)triazol-4-yl]methox...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(F)c(Br)c2)nc1C Show InChI InChI=1S/C15H13BrFN5O/c1-9-6-18-15(19-10(9)2)23-8-11-7-22(21-20-11)12-3-4-14(17)13(16)5-12/h3-7H,8H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276681 (2-[[1-(3-Chloro-4-fluoro-phenyl)triazol-4-yl]metho...) Show SMILES CCc1cnc(OCc2cn(nn2)-c2ccc(F)c(Cl)c2)nc1 Show InChI InChI=1S/C15H13ClFN5O/c1-2-10-6-18-15(19-7-10)23-9-11-8-22(21-20-11)12-3-4-14(17)13(16)5-12/h3-8H,2,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50135450 ((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-2'-fluoro-5-...) Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccccc1F Show InChI InChI=1S/C26H27F3O3/c1-16(2)21-13-19(20-10-5-6-11-23(20)27)14-22(26(21)32-15-24(28)29)18(4)9-7-8-17(3)12-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b8-7+,17-12+,18-9-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro agonist efficacy against PPAR gamma along with 100 nM BRL49653				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50135452 ((2E,4E,6Z)-7-[2-(2,2-Difluoro-ethoxy)-5-furan-2-yl...) Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1ccco1 Show InChI InChI=1S/C24H26F2O4/c1-15(2)19-12-18(21-9-6-10-29-21)13-20(24(19)30-14-22(25)26)17(4)8-5-7-16(3)11-23(27)28/h5-13,15,22H,14H2,1-4H3,(H,27,28)/b7-5+,16-11+,17-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description In vitro agonistic activity against PPAR gamma along with 100 nM BRL49653				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50135462 ((2E,4E,6Z)-7-[4-(2,2-Difluoro-ethoxy)-3'-fluoro-5-...) Show SMILES CC(C)c1cc(cc(\C(C)=C/C=C/C(/C)=C/C(O)=O)c1OCC(F)F)-c1cccc(F)c1 Show InChI InChI=1S/C26H27F3O3/c1-16(2)22-13-20(19-9-6-10-21(27)12-19)14-23(26(22)32-15-24(28)29)18(4)8-5-7-17(3)11-25(30)31/h5-14,16,24H,15H2,1-4H3,(H,30,31)/b7-5+,17-11+,18-8-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Ligand Pharmaceuticals Inc Curated by ChEMBL					Assay Description Binding affinity against RXR alpha receptor using [3H]-9-cis-RA as radioligand in CV-1 cells				Bioorg Med Chem Lett 13: 4071-5 (2003) BindingDB Entry DOI: 10.7270/Q2V987GP
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276692 (2-[[1-[4-chloro-3-(difluoromethyl)phenyl]triazol-4...) Show SMILES Cc1cnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)nc1N Show InChI InChI=1S/C15H13ClF2N6O/c1-8-5-20-15(21-14(8)19)25-7-9-6-24(23-22-9)10-2-3-12(16)11(4-10)13(17)18/h2-6,13H,7H2,1H3,(H2,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276123 (2-[[1-[4-Chloro-3-(difluoromethyl)phenyl]triazol-4...) Show SMILES Cc1ccnc(OCc2cn(nn2)-c2ccc(Cl)c(c2)C(F)F)n1 Show InChI InChI=1S/C15H12ClF2N5O/c1-9-4-5-19-15(20-9)24-8-10-7-23(22-21-10)11-2-3-13(16)12(6-11)14(17)18/h2-7,14H,8H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM276503 (5-Ethoxy-2-[[1-[4-fluoro-3-(trifluoromethyl)phenyl...) Show SMILES CCOc1cnc(OCc2cn(nn2)-c2ccc(F)c(c2)C(F)(F)F)nc1 Show InChI InChI=1S/C16H13F4N5O2/c1-2-26-12-6-21-15(22-7-12)27-9-10-8-25(24-23-10)11-3-4-14(17)13(5-11)16(18,19)20/h3-8H,2,9H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	7.4	25
JANSSEN PHARMACEUTICA NV US Patent					Assay Description NMDA receptors are ion channels that are highly permeable to Ca2+ ions, rendering it possible to monitor NMDA receptor function using cell-based calc...				US Patent US10071988 (2018) BindingDB Entry DOI: 10.7270/Q20Z7591
					More data for this Ligand-Target Pair

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