Compile Data Set for Download or QSAR

Found 391 hits with Last Name = 'montana' and Initial = 'v'   

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
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143826 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143826 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143826 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143827 ((E)-3-[4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-te...) Show SMILES COc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O4/c1-25(2)11-12-26(3,4)21-15-23(29-5)19(14-20(21)25)17-7-6-8-22-18(17)13-16(30-22)9-10-24(27)28/h9-10,13-15,17H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143825 (5-[1-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-na...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(C=C3SC(O)=NC3=O)cc12 |w:21.22,c:27| Show InChI InChI=1S/C26H29NO3S/c1-25(2)10-11-26(3,4)20-12-15(8-9-19(20)25)17-6-5-7-21-18(17)13-16(30-21)14-22-23(28)27-24(29)31-22/h8-9,12-14,17H,5-7,10-11H2,1-4H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143832 ((E)-3-[4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...) Show SMILES Cc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O3/c1-16-13-21-22(26(4,5)12-11-25(21,2)3)15-19(16)18-7-6-8-23-20(18)14-17(29-23)9-10-24(27)28/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143833 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O2S/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50409928 (CHEMBL2113737) Show SMILES C\C(=C/C(O)=O)c1cc2C(CCCc2o1)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O3/c1-16(13-24(27)28)23-15-19-18(7-6-8-22(19)29-23)17-9-10-20-21(14-17)26(4,5)12-11-25(20,2)3/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b16-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50409929 (CHEMBL2113736) Show SMILES CN1CC(c2cc(\C=C\C(O)=O)oc2C1)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C25H31NO3/c1-24(2)10-11-25(3,4)21-12-16(6-8-20(21)24)19-14-26(5)15-22-18(19)13-17(29-22)7-9-23(27)28/h6-9,12-13,19H,10-11,14-15H2,1-5H3,(H,27,28)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	79	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143826 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143824 ((E)-3-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc(\C=C\C(O)=O)o1 Show InChI InChI=1S/C21H24O3/c1-20(2)11-12-21(3,4)17-13-14(5-8-16(17)20)18-9-6-15(24-18)7-10-19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143821 ((E)-3-[4-(5,5,8,8-Tetramethyl-3-propoxy-5,6,7,8-te...) Show SMILES CCCOc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C28H36O4/c1-6-14-31-25-17-23-22(27(2,3)12-13-28(23,4)5)16-21(25)19-8-7-9-24-20(19)15-18(32-24)10-11-26(29)30/h10-11,15-17,19H,6-9,12-14H2,1-5H3,(H,29,30)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143835 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3coc(\C=C\C(O)=O)c3)ccc12 Show InChI InChI=1S/C22H26O3/c1-21(2)9-10-22(3,4)19-13-15(5-7-18(19)21)11-16-12-17(25-14-16)6-8-20(23)24/h5-8,12-14H,9-11H2,1-4H3,(H,23,24)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143831 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)nc12 Show InChI InChI=1S/C24H29NO3/c1-23(2)12-13-24(3,4)18-14-15(8-9-17(18)23)16-6-5-7-19-22(16)25-20(28-19)10-11-21(26)27/h8-11,14,16H,5-7,12-13H2,1-4H3,(H,26,27)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143823 ((E)-3-[5-Methyl-4-(5,5,8,8-tetramethyl-5,6,7,8-tet...) Show SMILES Cc1oc(\C=C\C(O)=O)cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H28O3/c1-15-17(14-18(26-15)7-9-21(24)25)12-16-6-8-19-20(13-16)23(4,5)11-10-22(19,2)3/h6-9,13-14H,10-12H2,1-5H3,(H,24,25)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143828 (3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(CCC(O)=O)cc12 Show InChI InChI=1S/C25H32O2S/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8,10,14-15,18H,5-7,9,11-13H2,1-4H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143831 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)nc12 Show InChI InChI=1S/C24H29NO3/c1-23(2)12-13-24(3,4)18-14-15(8-9-17(18)23)16-6-5-7-19-22(16)25-20(28-19)10-11-21(26)27/h8-11,14,16H,5-7,12-13H2,1-4H3,(H,26,27)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143830 (4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(cc12)C(O)=O Show InChI InChI=1S/C23H28O3/c1-22(2)10-11-23(3,4)18-12-14(8-9-17(18)22)15-6-5-7-19-16(15)13-20(26-19)21(24)25/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143825 (5-[1-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-na...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(C=C3SC(O)=NC3=O)cc12 |w:21.22,c:27| Show InChI InChI=1S/C26H29NO3S/c1-25(2)10-11-26(3,4)20-12-15(8-9-19(20)25)17-6-5-7-21-18(17)13-16(30-21)14-22-23(28)27-24(29)31-22/h8-9,12-14,17H,5-7,10-11H2,1-4H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143823 ((E)-3-[5-Methyl-4-(5,5,8,8-tetramethyl-5,6,7,8-tet...) Show SMILES Cc1oc(\C=C\C(O)=O)cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C23H28O3/c1-15-17(14-18(26-15)7-9-21(24)25)12-16-6-8-19-20(13-16)23(4,5)11-10-22(19,2)3/h6-9,13-14H,10-12H2,1-5H3,(H,24,25)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143827 ((E)-3-[4-(3-Methoxy-5,5,8,8-tetramethyl-5,6,7,8-te...) Show SMILES COc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O4/c1-25(2)11-12-26(3,4)21-15-23(29-5)19(14-20(21)25)17-7-6-8-22-18(17)13-16(30-22)9-10-24(27)28/h9-10,13-15,17H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143824 ((E)-3-[5-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)-c1ccc(\C=C\C(O)=O)o1 Show InChI InChI=1S/C21H24O3/c1-20(2)11-12-21(3,4)17-13-14(5-8-16(17)20)18-9-6-15(24-18)7-10-19(22)23/h5-10,13H,11-12H2,1-4H3,(H,22,23)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143833 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O2S/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143828 (3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-napht...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2sc(CCC(O)=O)cc12 Show InChI InChI=1S/C25H32O2S/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8,10,14-15,18H,5-7,9,11-13H2,1-4H3,(H,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50409928 (CHEMBL2113737) Show SMILES C\C(=C/C(O)=O)c1cc2C(CCCc2o1)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O3/c1-16(13-24(27)28)23-15-19-18(7-6-8-22(19)29-23)17-9-10-20-21(14-17)26(4,5)12-11-25(20,2)3/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b16-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50409929 (CHEMBL2113736) Show SMILES CN1CC(c2cc(\C=C\C(O)=O)oc2C1)c1ccc2c(c1)C(C)(C)CCC2(C)C Show InChI InChI=1S/C25H31NO3/c1-24(2)10-11-25(3,4)21-12-16(6-8-20(21)24)19-14-26(5)15-22-18(19)13-17(29-22)7-9-23(27)28/h6-9,12-13,19H,10-11,14-15H2,1-5H3,(H,27,28)/b9-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143835 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(Cc3coc(\C=C\C(O)=O)c3)ccc12 Show InChI InChI=1S/C22H26O3/c1-21(2)9-10-22(3,4)19-13-15(5-7-18(19)21)11-16-12-17(25-14-16)6-8-20(23)24/h5-8,12-14H,9-11H2,1-4H3,(H,23,24)/b8-6+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143826 ((E)-3-[4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-n...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(\C=C\C(O)=O)cc12 Show InChI InChI=1S/C25H30O3/c1-24(2)12-13-25(3,4)21-14-16(8-10-20(21)24)18-6-5-7-22-19(18)15-17(28-22)9-11-23(26)27/h8-11,14-15,18H,5-7,12-13H2,1-4H3,(H,26,27)/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143832 ((E)-3-[4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro...) Show SMILES Cc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C26H32O3/c1-16-13-21-22(26(4,5)12-11-25(21,2)3)15-19(16)18-7-6-8-23-20(18)14-17(29-23)9-10-24(27)28/h9-10,13-15,18H,6-8,11-12H2,1-5H3,(H,27,28)/b10-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor alpha (Homo sapiens (Human))	BDBM50143821 ((E)-3-[4-(5,5,8,8-Tetramethyl-3-propoxy-5,6,7,8-te...) Show SMILES CCCOc1cc2c(cc1C1CCCc3oc(\C=C\C(O)=O)cc13)C(C)(C)CCC2(C)C Show InChI InChI=1S/C28H36O4/c1-6-14-31-25-17-23-22(27(2,3)12-13-28(23,4)5)16-21(25)19-8-7-9-24-20(19)15-18(32-24)10-11-26(29)30/h10-11,15-17,19H,6-9,12-14H2,1-5H3,(H,29,30)/b11-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoic acid receptor alpha (RARalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143834 (5-[1-[5-(3-Bromo-phenyl)-furan-2-yl]-meth-(Z)-ylid...) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccc(Br)c1 |w:7.8,t:1| Show InChI InChI=1S/C14H8BrNO3S/c15-9-3-1-2-8(6-9)11-5-4-10(19-11)7-12-13(17)16-14(18)20-12/h1-7H,(H,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143830 (4-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthal...) Show SMILES CC1(C)CCC(C)(C)c2cc(ccc12)C1CCCc2oc(cc12)C(O)=O Show InChI InChI=1S/C23H28O3/c1-22(2)10-11-23(3,4)18-12-14(8-9-17(18)22)15-6-5-7-19-16(15)13-20(26-19)21(24)25/h8-9,12-13,15H,5-7,10-11H2,1-4H3,(H,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	>3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Retinoic acid receptor RXR-alpha (Homo sapiens (Human))	BDBM50143836 (5-[1-[5-(3-Trifluoromethyl-phenyl)-furan-2-yl]-met...) Show SMILES OC1=NC(=O)C(S1)=Cc1ccc(o1)-c1cccc(c1)C(F)(F)F |w:7.8,t:1| Show InChI InChI=1S/C15H8F3NO3S/c16-15(17,18)9-3-1-2-8(6-9)11-5-4-10(22-11)7-12-13(20)19-14(21)23-12/h1-7H,(H,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Research and Development Curated by ChEMBL					Assay Description Binding affinity for retinoid X receptor alpha (RXRalpha), using 9-cis-[3H]-retinoic acid				J Med Chem 47: 2010-29 (2004) Article DOI: 10.1021/jm030565g BindingDB Entry DOI: 10.7270/Q2KH0MRC
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7751 ((12Z)-12-{[(4-{[2-(2-hydroxyethoxy)ethyl]sulfamoyl...) Show SMILES OCCOCCNS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:17.18| Show InChI InChI=1S/C20H20N4O5S2/c25-8-10-29-9-7-23-31(27,28)14-3-1-13(2-4-14)21-11-15-18-16(24-20(15)26)5-6-17-19(18)30-12-22-17/h1-6,11-12,15,23,25H,7-10H2,(H,24,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	0.540	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair				3D Structure (docked)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM28661 (2-{2-methyl-4-[({4-methyl-2-[4-(trifluoromethyl)ph...) Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human))	BDBM50127222 (CHEMBL38508 | GW-0742 | {4-[2-(3-Fluoro-4-trifluor...) Show SMILES Cc1nc(sc1CSc1ccc(OCC(O)=O)c(C)c1)-c1ccc(c(F)c1)C(F)(F)F Show InChI InChI=1S/C21H17F4NO3S2/c1-11-7-14(4-6-17(11)29-9-19(27)28)30-10-18-12(2)26-20(31-18)13-3-5-15(16(22)8-13)21(23,24)25/h3-8H,9-10H2,1-2H3,(H,27,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Binding affinity for human PPAR delta receptor				Bioorg Med Chem Lett 13: 1517-21 (2003) BindingDB Entry DOI: 10.7270/Q2VQ322G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7753 (N-methyl-4-({[(12Z)-11-oxo-3-thia-5,10-diazatricyc...) Show SMILES COCCOCCOCCOCCN(C)S(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc3ncsc3c12 |w:25.26| Show InChI InChI=1S/C26H32N4O7S2/c1-30(9-10-35-13-14-37-16-15-36-12-11-34-2)39(32,33)20-5-3-19(4-6-20)27-17-21-24-22(29-26(21)31)7-8-23-25(24)38-18-28-23/h3-8,17-18,21H,9-16H2,1-2H3,(H,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	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
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7692 (4-[N -(4-Isobutyl-2-oxo-1,2-dihydro-indol-3-yliden...) Show SMILES CC(C)Cc1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:13.13| Show InChI InChI=1S/C18H20N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-9,11,21H,10H2,1-2H3,(H2,19,24,25)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7693 (4-{2-[(3Z)-4-(2-methylprop-1-en-1-yl)-2-oxo-2,3-di...) Show SMILES [#6]\[#6](-[#6])=[#6]\c1cccc2-[#7]-[#6](=O)-[#6](=[#7]-[#7]-c3ccc(cc3)S([#7])(=O)=O)-c12 |w:13.13| Show InChI InChI=1S/C18H18N4O3S/c1-11(2)10-12-4-3-5-15-16(12)17(18(23)20-15)22-21-13-6-8-14(9-7-13)26(19,24)25/h3-10,21H,1-2H3,(H2,19,24,25)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7746 (4-({[(3Z)-4-oxo-5,10-diazatricyclo[7.4.0.0^{2,6}]t...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Cc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12| Show InChI InChI=1S/C18H14N4O3S/c19-26(24,25)12-5-3-11(4-6-12)21-10-14-17-13-2-1-9-20-15(13)7-8-16(17)22-18(14)23/h1-10,20H,(H,22,23)(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7745 (4-[N -2-Oxo-2,3-dihydropyrrolo[3,2-f]quinolin-1-yl...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH]cccc23)[nH]c1=O |w:11.12| Show InChI InChI=1S/C17H13N5O3S/c18-26(24,25)11-5-3-10(4-6-11)21-22-16-15-12-2-1-9-19-13(12)7-8-14(15)20-17(16)23/h1-9,19H,(H,20,23)(H2,18,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7727 ((3Z)-N-[(2,6-dimethoxyphenyl)methyl]-2-oxo-3-[2-(4...) Show SMILES COc1cccc(OC)c1CNC(=O)c1ccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c2c1 |w:22.23| Show InChI InChI=1S/C24H23N5O6S/c1-34-20-4-3-5-21(35-2)18(20)13-26-23(30)14-6-11-19-17(12-14)22(24(31)27-19)29-28-15-7-9-16(10-8-15)36(25,32)33/h3-12,28H,13H2,1-2H3,(H,26,30)(H2,25,32,33)(H,27,29,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7719 (4-({[(3Z)-5-(3-methylbutanoyl)-2-oxo-2,3-dihydro-1...) Show SMILES CC(C)CC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:14.13| Show InChI InChI=1S/C20H21N3O4S/c1-12(2)9-19(24)13-3-8-18-16(10-13)17(20(25)23-18)11-22-14-4-6-15(7-5-14)28(21,26)27/h3-8,10-12,17H,9H2,1-2H3,(H,23,25)(H2,21,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7688 (4-({1-[(3Z)-5-(1,3-oxazol-5-yl)-2-oxo-2,3-dihydro-...) Show SMILES CC(=Nc1ccc(cc1)S(N)(=O)=O)C1C(=O)Nc2ccc(cc12)-c1cnco1 |w:2.2| Show InChI InChI=1S/C19H16N4O4S/c1-11(22-13-3-5-14(6-4-13)28(20,25)26)18-15-8-12(17-9-21-10-27-17)2-7-16(15)23-19(18)24/h2-10,18H,1H3,(H,23,24)(H2,20,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7717 (Oxindole-Based Inhibitor 53 | methyl (3Z)-2-oxo-3-...) Show SMILES COC(=O)c1ccc2NC(=O)C(C=Nc3ccc(cc3)S(N)(=O)=O)c2c1 |w:12.11| Show InChI InChI=1S/C17H15N3O5S/c1-25-17(22)10-2-7-15-13(8-10)14(16(21)20-15)9-19-11-3-5-12(6-4-11)26(18,23)24/h2-9,14H,1H3,(H,20,21)(H2,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7725 ((3Z)-2-oxo-N-(pyridin-3-ylmethyl)-3-[2-(4-sulfamoy...) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(=O)NCc2cccnc2)cc1 |w:9.8| Show InChI InChI=1S/C21H18N6O4S/c22-32(30,31)16-6-4-15(5-7-16)26-27-19-17-10-14(3-8-18(17)25-21(19)29)20(28)24-12-13-2-1-9-23-11-13/h1-11,26H,12H2,(H,24,28)(H2,22,30,31)(H,25,27,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7741 (4-[N -(1-Chloro-7-oxo-6,7-dihydro-3H-pyrrolo[3,2-e...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=Nc1c2c(ccc3[nH][nH]c(Cl)c23)[nH]c1=O |w:11.12| Show InChI InChI=1S/C15H11ClN6O3S/c16-14-12-10(20-22-14)6-5-9-11(12)13(15(23)18-9)21-19-7-1-3-8(4-2-7)26(17,24)25/h1-6,20,22H,(H,18,23)(H2,17,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7686 (4-[1-(5-Oxazol-5-yl-2-oxo-1,2-dihydro-indol-3-ylid...) Show SMILES NS(=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)-c2cnco2)cc1 |w:9.8| Show InChI InChI=1S/C17H13N5O4S/c18-27(24,25)12-4-2-11(3-5-12)21-22-16-13-7-10(15-8-19-9-26-15)1-6-14(13)20-17(16)23/h1-9,21H,(H2,18,24,25)(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7691 (4-[N¢-(4-Isopropyl-2-oxo-1,2-dihydro-indol-3-ylid...) Show SMILES CC(C)c1cccc2NC(=O)C(=NNc3ccc(cc3)S(N)(=O)=O)c12 |w:12.12| Show InChI InChI=1S/C17H18N4O3S/c1-10(2)13-4-3-5-14-15(13)16(17(22)19-14)21-20-11-6-8-12(9-7-11)25(18,23)24/h3-10,20H,1-2H3,(H2,18,23,24)(H,19,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair
Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM7687 (4-({[(3Z)-5-(1,3-oxazol-5-yl)-2-oxo-2,3-dihydro-1H...) Show SMILES NS(=O)(=O)c1ccc(cc1)N=CC1C(=O)Nc2ccc(cc12)-c1cnco1 |w:11.12| Show InChI InChI=1S/C18H14N4O4S/c19-27(24,25)13-4-2-12(3-5-13)21-8-15-14-7-11(17-9-20-10-26-17)1-6-16(14)22-18(15)23/h1-10,15H,(H,22,23)(H2,19,24,25)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
GlaxoSmithKline					Assay Description The biochemical activity of compounds was determined by incubation with specific enzymes and substrates in the presence 1.4 uM ATP/[gamma-32P] ATP. A...				J Med Chem 44: 4339-58 (2001) Article DOI: 10.1021/jm010117d BindingDB Entry DOI: 10.7270/Q2ST7N10
					More data for this Ligand-Target Pair				3D Structure (docked)

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