Compile Data Set for Download or QSAR

Found 264 hits with Last Name = 'saxena' and Initial = 'ak'   

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
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50477152 (CHEMBL393466) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.643	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) Show SMILES Cc1nc2CCCCn2c(=O)c1CCN1CCC(CC1)c1noc2cc(F)ccc12 Show InChI InChI=1S/C23H27FN4O2/c1-15-18(23(29)28-10-3-2-4-21(28)25-15)9-13-27-11-7-16(8-12-27)22-19-6-5-17(24)14-20(19)30-26-22/h5-6,14,16H,2-4,7-13H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50202762 (CHEMBL238952 | N-(4-(3-(4-m-tolylpiperazin-1-yl)pr...) Show SMILES CC(=O)Nc1ccc(SCCCN2CCN(CC2)c2cccc(C)c2)cc1 Show InChI InChI=1S/C22H29N3OS/c1-18-5-3-6-21(17-18)25-14-12-24(13-15-25)11-4-16-27-22-9-7-20(8-10-22)23-19(2)26/h3,5-10,17H,4,11-16H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.09	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells				Bioorg Med Chem Lett 17: 1708-12 (2007) Article DOI: 10.1016/j.bmcl.2006.12.072 BindingDB Entry DOI: 10.7270/Q2W66KFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50477152 (CHEMBL393466) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50133931 (1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50202763 (1-(3-(phenylthio)propyl)-4-m-tolylpiperazine | CHE...) Show SMILES Cc1cccc(c1)N1CCN(CCCSc2ccccc2)CC1 Show InChI InChI=1S/C20H26N2S/c1-18-7-5-8-19(17-18)22-14-12-21(13-15-22)11-6-16-23-20-9-3-2-4-10-20/h2-5,7-10,17H,6,11-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells				Bioorg Med Chem Lett 17: 1708-12 (2007) Article DOI: 10.1016/j.bmcl.2006.12.072 BindingDB Entry DOI: 10.7270/Q2W66KFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50202764 (1-(3-(4-nitrophenylthio)propyl)-4-m-tolylpiperazin...) Show SMILES Cc1cccc(c1)N1CCN(CCCSc2ccc(cc2)[N+]([O-])=O)CC1 Show InChI InChI=1S/C20H25N3O2S/c1-17-4-2-5-19(16-17)22-13-11-21(12-14-22)10-3-15-26-20-8-6-18(7-9-20)23(24)25/h2,4-9,16H,3,10-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	21.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells				Bioorg Med Chem Lett 17: 1708-12 (2007) Article DOI: 10.1016/j.bmcl.2006.12.072 BindingDB Entry DOI: 10.7270/Q2W66KFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50202761 (CHEMBL239371 | N-(4-(3-(4-o-tolylpiperazin-1-yl)pr...) Show SMILES CC(=O)Nc1ccc(SCCCN2CCN(CC2)c2ccccc2C)cc1 Show InChI InChI=1S/C22H29N3OS/c1-18-6-3-4-7-22(18)25-15-13-24(14-16-25)12-5-17-27-21-10-8-20(9-11-21)23-19(2)26/h3-4,6-11H,5,12-17H2,1-2H3,(H,23,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from rat cloned 5HT2A receptor expressed in NIH-3T3-GF6 cells				Bioorg Med Chem Lett 17: 1708-12 (2007) Article DOI: 10.1016/j.bmcl.2006.12.072 BindingDB Entry DOI: 10.7270/Q2W66KFW
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50133931 (1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50477151 (CHEMBL393622) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2CC3Nc4ccccc4C3CC2C1 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	92	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50477151 (CHEMBL393622) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2CC3Nc4ccccc4C3CC2C1 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	94	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(1A) dopamine receptor (RAT)	BDBM50133931 (1-(4-fluoro-phenyl)-4-(3,4,6,7,12,12a-hexahydro-1H...) Show SMILES Fc1ccc(cc1)C(=O)CCCN1CCN2Cc3[nH]c4ccccc4c3CC2C1 Show InChI InChI=1S/C24H26FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-11-27-12-13-28-16-23-21(14-19(28)15-27)20-4-1-2-5-22(20)26-23/h1-2,4-5,7-10,19,26H,3,6,11-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	425	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]SCH-23390 from dopamine D1 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50477152 (CHEMBL393466) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCN(CCCC(=O)c4ccc(F)cc4)CC3CC2c2ccccc12 Show InChI InChI=1S/C34H37F2N3O2/c35-26-13-9-24(10-14-26)33(40)7-3-17-37-19-20-38-23-32-30(21-28(38)22-37)29-5-1-2-6-31(29)39(32)18-4-8-34(41)25-11-15-27(36)16-12-25/h1-2,5-6,9-16,28,30,32H,3-4,7-8,17-23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24524 ((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-metho...) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-16(22)20-18(25-15)21-17-19-13-4-2-3-5-14(13)24-17/h2-10H,1H3,(H,19,20,21,22)/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.17E+4	-28.1	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24516 ((2E,5E)-5-[(4-methoxyphenyl)methylidene]-2-(1,3-th...) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1 Show InChI InChI=1S/C14H11N3O2S2/c1-19-10-4-2-9(3-5-10)8-11-12(18)16-14(21-11)17-13-15-6-7-20-13/h2-8H,1H3,(H,15,16,17,18)/b11-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.17E+4	-28.1	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24523 ((2E,5E)-2-{[4-(adamantan-1-yl)-1,3-thiazol-2-yl]im...) Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)C23CC4CC(CC(C4)C2)C3)ccc1O |TLB:21:22:26:20.25.19,THB:21:20:26:22.27.23,23:24:22.21.27:19,23:22:24.25.26:19| Show InChI InChI=1S/C24H25N3O3S2/c1-30-18-7-13(2-3-17(18)28)8-19-21(29)26-23(32-19)27-22-25-20(12-31-22)24-9-14-4-15(10-24)6-16(5-14)11-24/h2-3,7-8,12,14-16,28H,4-6,9-11H2,1H3,(H,25,26,27,29)/b19-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.23E+4	-28.0	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24526 ((2E,5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylid...) Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccc(cc3s2)[N+]([O-])=O)cc(OC)c1O Show InChI InChI=1S/C19H14N4O6S2/c1-28-12-5-9(6-13(29-2)16(12)24)7-15-17(25)21-19(31-15)22-18-20-11-4-3-10(23(26)27)8-14(11)30-18/h3-8,24H,1-2H3,(H,20,21,22,25)/b15-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.29E+4	-27.9	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24527 ((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-nitro...) Show SMILES [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc1 Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-5-7-11(8-6-10)21(23)24)26-17(19-15)20-16-18-12-3-1-2-4-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.62E+4	-27.3	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24525 ((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(4-hydro...) Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)cc(OC)c1O Show InChI InChI=1S/C19H15N3O4S2/c1-25-12-7-10(8-13(26-2)16(12)23)9-15-17(24)21-19(28-15)22-18-20-11-5-3-4-6-14(11)27-18/h3-9,23H,1-2H3,(H,20,21,22,24)/b15-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.81E+4	-27.1	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24529 ((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-metho...) Show SMILES COc1ccc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)cc1 Show InChI InChI=1S/C18H13N3O2S2/c1-23-12-8-6-11(7-9-12)10-15-17(22)20-18(24-15)19-16-13-4-2-3-5-14(13)25-21-16/h2-10H,1H3,(H,19,20,21,22)/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.28E+4	-26.5	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24515 ((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...) Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nccs2)ccc1O Show InChI InChI=1S/C14H11N3O3S2/c1-20-10-6-8(2-3-9(10)18)7-11-12(19)16-14(22-11)17-13-15-4-5-21-13/h2-7,18H,1H3,(H,15,16,17,19)/b11-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.56E+4	-26.2	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24528 ((2E,5E)-2-(1,3-benzothiazol-2-ylimino)-5-[(3-nitro...) Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nc3ccccc3s2)c1 Show InChI InChI=1S/C17H10N4O3S2/c22-15-14(9-10-4-3-5-11(8-10)21(23)24)26-17(19-15)20-16-18-12-6-1-2-7-13(12)25-16/h1-9H,(H,18,19,20,22)/b14-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.87E+4	-25.9	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24521 ((2E,5E)-5-[(2-chlorophenyl)methylidene]-2-(1,3-thi...) Show SMILES Clc1ccccc1\C=C1\S\C(NC1=O)=N\c1nccs1 Show InChI InChI=1S/C13H8ClN3OS2/c14-9-4-2-1-3-8(9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.23E+4	-25.6	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24519 ((2E,5E)-5-[(4-chlorophenyl)methylidene]-2-(1,3-thi...) Show SMILES Clc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1 Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-8(2-4-9)7-10-11(18)16-13(20-10)17-12-15-5-6-19-12/h1-7H,(H,15,16,17,18)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.45E+4	-24.3	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24530 ((2Z,5E)-2-(1,2-benzothiazol-3-ylimino)-5-[(4-hydro...) Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N/c2nsc3ccccc23)ccc1O Show InChI InChI=1S/C18H13N3O3S2/c1-24-13-8-10(6-7-12(13)22)9-15-17(23)20-18(25-15)19-16-11-4-2-3-5-14(11)26-21-16/h2-9,22H,1H3,(H,19,20,21,23)/b15-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.08E+4	-23.1	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat))	BDBM50477150 (CHEMBL240733) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCNCC3CC2c2ccccc12 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-12-28-22-5-2-1-4-20(22)21-14-19-15-26-11-13-27(19)16-23(21)28/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM50477150 (CHEMBL240733) Show SMILES Fc1ccc(cc1)C(=O)CCCN1C2CN3CCNCC3CC2c2ccccc12 Show InChI InChI=1S/C24H28FN3O/c25-18-9-7-17(8-10-18)24(29)6-3-12-28-22-5-2-1-4-20(22)21-14-19-15-26-11-13-27(19)16-23(21)28/h1-2,4-5,7-10,19,21,23,26H,3,6,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	<1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from dopamine D2 receptor in rat brain				Bioorg Med Chem 15: 7361-7 (2007) Article DOI: 10.1016/j.bmc.2007.07.018 BindingDB Entry DOI: 10.7270/Q251420V
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24522 ((2E,5E)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]...) Show SMILES COc1cc(\C=C2\S\C(NC2=O)=N\c2nc(cs2)-c2ccccc2)ccc1O Show InChI InChI=1S/C20H15N3O3S2/c1-26-16-9-12(7-8-15(16)24)10-17-18(25)22-20(28-17)23-19-21-14(11-27-19)13-5-3-2-4-6-13/h2-11,24H,1H3,(H,21,22,23,25)/b17-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.03E+5	-22.8	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24513 ((2E,5E)-5-[(4-hydroxyphenyl)methylidene]-2-(1,3-th...) Show SMILES Oc1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1 Show InChI InChI=1S/C13H9N3O2S2/c17-9-3-1-8(2-4-9)7-10-11(18)15-13(20-10)16-12-14-5-6-19-12/h1-7,17H,(H,14,15,16,18)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.88E+5	-19.5	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24517 ((2E,5E)-5-[(4-nitrophenyl)methylidene]-2-(1,3-thia...) Show SMILES [O-][N+](=O)c1ccc(\C=C2\S\C(NC2=O)=N\c2nccs2)cc1 Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-1-3-9(4-2-8)17(19)20)22-13(15-11)16-12-14-5-6-21-12/h1-7H,(H,14,15,16,18)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.74E+5	-19.0	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24518 ((2E,5E)-5-[(3-nitrophenyl)methylidene]-2-(1,3-thia...) Show SMILES [O-][N+](=O)c1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1 Show InChI InChI=1S/C13H8N4O3S2/c18-11-10(7-8-2-1-3-9(6-8)17(19)20)22-13(15-11)16-12-14-4-5-21-12/h1-7H,(H,14,15,16,18)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.48E+5	-18.6	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 11 (Homo sapiens (Human))	BDBM24520 ((2E,5E)-5-[(3-chlorophenyl)methylidene]-2-(1,3-thi...) Show SMILES Clc1cccc(\C=C2\S\C(NC2=O)=N\c2nccs2)c1 Show InChI InChI=1S/C13H8ClN3OS2/c14-9-3-1-2-8(6-9)7-10-11(18)16-13(20-10)17-12-15-4-5-19-12/h1-7H,(H,15,16,17,18)/b10-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.09E+6	-16.9	n/a	n/a	n/a	n/a	n/a	7.0	25
Aristotle University					Assay Description SHP-2 inhibitory activity was tested using human recombinant GST-fusion SHP-2 (Calbiochem). Test compound was preincubated with enzyme mixture before...				J Med Chem 51: 5221-8 (2008) Article DOI: 10.1021/jm8004306 BindingDB Entry DOI: 10.7270/Q2251GGD
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085044 ((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(5-methyl-2-...) Show SMILES Cc1oc(nc1CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)-c1ccccc1 Show InChI InChI=1S/C34H30N2O5/c1-23-29(36-33(41-23)26-12-6-3-7-13-26)20-21-40-27-18-16-24(17-19-27)22-31(34(38)39)35-30-15-9-8-14-28(30)32(37)25-10-4-2-5-11-25/h2-19,31,35H,20-22H2,1H3,(H,38,39)/t31-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.11E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418564 (CHEMBL423026) Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C32H29N3O5/c1-35(32-34-27-13-7-8-14-29(27)40-32)19-20-39-24-17-15-22(16-18-24)21-28(31(37)38)33-26-12-6-5-11-25(26)30(36)23-9-3-2-4-10-23/h2-18,28,33H,19-21H2,1H3,(H,37,38)/t28-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.12E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50085048 ((S)-2-(2-Benzoyl-phenylamino)-3-{4-[2-(methyl-pyri...) Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1ccccn1 Show InChI InChI=1S/C30H29N3O4/c1-33(28-13-7-8-18-31-28)19-20-37-24-16-14-22(15-17-24)21-27(30(35)36)32-26-12-6-5-11-25(26)29(34)23-9-3-2-4-10-23/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	1.13E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418576 (CHEMBL1785077) Show SMILES CN(CCOc1ccc(C[C@H](Nc2ccccc2Oc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1 |r| Show InChI InChI=1S/C31H29N3O5/c1-34(31-33-26-12-6-8-14-29(26)39-31)19-20-37-23-17-15-22(16-18-23)21-27(30(35)36)32-25-11-5-7-13-28(25)38-24-9-3-2-4-10-24/h2-18,27,32H,19-21H2,1H3,(H,35,36)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418568 (CHEMBL146822) Show SMILES CN(CCOc1ccc(CC(Nc2ccccc2C(=O)Cc2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C33H31N3O5/c1-36(33-35-28-13-7-8-14-31(28)41-33)19-20-40-25-17-15-24(16-18-25)21-29(32(38)39)34-27-12-6-5-11-26(27)30(37)22-23-9-3-2-4-10-23/h2-18,29,34H,19-22H2,1H3,(H,38,39)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.18E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418563 (CHEMBL148301) Show SMILES Cc1c(C)c2OC(C)(COc3ccc(C[C@H](Nc4ccccc4C(=O)c4ccccc4)C(O)=O)cc3)CCc2c(C)c1O Show InChI InChI=1S/C36H37NO6/c1-22-23(2)34-28(24(3)32(22)38)18-19-36(4,43-34)21-42-27-16-14-25(15-17-27)20-31(35(40)41)37-30-13-9-8-12-29(30)33(39)26-10-6-5-7-11-26/h5-17,31,37-38H,18-21H2,1-4H3,(H,40,41)/t31-,36?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.20E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418575 (CHEMBL358137) Show SMILES CN(CCOc1ccc(CC(Nc2cccc3C(=O)c4ccccc4C(=O)c23)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C33H27N3O6/c1-36(33-35-25-10-4-5-12-28(25)42-33)17-18-41-21-15-13-20(14-16-21)19-27(32(39)40)34-26-11-6-9-24-29(26)31(38)23-8-3-2-7-22(23)30(24)37/h2-16,27,34H,17-19H2,1H3,(H,39,40)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418571 (CHEMBL346219) Show SMILES CCc1ccc(CCOc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)nc1 Show InChI InChI=1S/C31H30N2O4/c1-2-22-12-15-25(32-21-22)18-19-37-26-16-13-23(14-17-26)20-29(31(35)36)33-28-11-7-6-10-27(28)30(34)24-8-4-3-5-9-24/h3-17,21,29,33H,2,18-20H2,1H3,(H,35,36)/t29-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.22E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418557 (CHEMBL1785028) Show SMILES CC(CC(=O)c1ccccc1)=N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(O)=O |r,w:1.0| Show InChI InChI=1S/C26H25NO4/c1-19(16-25(28)22-10-6-3-7-11-22)27-24(26(29)30)17-20-12-14-23(15-13-20)31-18-21-8-4-2-5-9-21/h2-15,24H,16-18H2,1H3,(H,29,30)/t24-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418565 (CHEMBL1785075) Show SMILES CN(CCOc1ccc(CC(Cc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C33H30N2O5/c1-35(33-34-29-13-7-8-14-30(29)40-33)19-20-39-27-17-15-23(16-18-27)21-26(32(37)38)22-25-11-5-6-12-28(25)31(36)24-9-3-2-4-10-24/h2-18,26H,19-22H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418566 (CHEMBL146322) Show SMILES CN(CCOc1ccc(CC(Sc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C32H28N2O5S/c1-34(32-33-26-12-6-7-13-27(26)39-32)19-20-38-24-17-15-22(16-18-24)21-29(31(36)37)40-28-14-8-5-11-25(28)30(35)23-9-3-2-4-10-23/h2-18,29H,19-21H2,1H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.32E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418573 (CHEMBL147694) Show SMILES CN(CCOc1ccc(CC(Oc2ccccc2C(=O)c2ccccc2)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C32H28N2O6/c1-34(32-33-26-12-6-8-14-28(26)40-32)19-20-38-24-17-15-22(16-18-24)21-29(31(36)37)39-27-13-7-5-11-25(27)30(35)23-9-3-2-4-10-23/h2-18,29H,19-21H2,1H3,(H,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.33E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418562 (CHEMBL357479) Show SMILES CC1(COc2ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(O)=O)cc2)CCCCC1 Show InChI InChI=1S/C30H33NO4/c1-30(18-8-3-9-19-30)21-35-24-16-14-22(15-17-24)20-27(29(33)34)31-26-13-7-6-12-25(26)28(32)23-10-4-2-5-11-23/h2,4-7,10-17,27,31H,3,8-9,18-21H2,1H3,(H,33,34)/t27-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.37E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50418567 (CHEMBL148060) Show SMILES CN(CCOc1ccc(CC(Nc2cccc3-c4ccccc4C(=O)c23)C(O)=O)cc1)c1nc2ccccc2o1 Show InChI InChI=1S/C32H27N3O5/c1-35(32-34-25-10-4-5-12-28(25)40-32)17-18-39-21-15-13-20(14-16-21)19-27(31(37)38)33-26-11-6-9-23-22-7-2-3-8-24(22)30(36)29(23)26/h2-16,27,33H,17-19H2,1H3,(H,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.41E+8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Central Drug Research Institute Curated by ChEMBL					Assay Description Agonist activity at PPARgamma				Eur J Med Chem 43: 73-80 (2008) Article DOI: 10.1016/j.ejmech.2007.03.004 BindingDB Entry DOI: 10.7270/Q2XG9SCP
					More data for this Ligand-Target Pair

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