Compile Data Set for Download or QSAR

Found 249 hits with Last Name = 'bharatam' and Initial = 'pv'   

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
Beta-3 adrenergic receptor (Homo sapiens (Human))	BDBM50487722 (BMS-201620 | CHEMBL401068) Show SMILES CCOP(=O)(OCC)c1ccc(NC(=O)[C@@](C)(NC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)c2ccc(OC)cc2)cc1 Show InChI InChI=1S/C29H38N3O9PS/c1-6-40-42(36,41-7-2)24-15-11-22(12-16-24)31-28(35)29(3,21-9-13-23(39-4)14-10-21)30-19-27(34)20-8-17-26(33)25(18-20)32-43(5,37)38/h8-18,27,30,32-34H,6-7,19H2,1-5H3,(H,31,35)/t27-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	93	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Agonist activity at Homo sapiens (human) beta3 adrenoreceptor				Med Chem Res 19: 1121-1140 (2010) Article DOI: 10.1007/s00044-009-9257-x BindingDB Entry DOI: 10.7270/Q2057JTC
					More data for this Ligand-Target Pair
DNA topoisomerase 2-alpha (Homo sapiens (Human))	BDBM50357677 (CHEMBL1914951) Show SMILES CC(C)(C)Nc1c(nc2ccccn12)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C18H19N3O2/c1-18(2,3)20-16-15(19-14-6-4-5-11-21(14)16)12-7-9-13(10-8-12)17(22)23/h4-11,20H,1-3H3,(H,22,23)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Competitive inhibition of human topoisomerase-2 alpha-ATPase activity by Lineweaver-Burk assay in presence of 200 to 520 uM ATP				J Med Chem 54: 5013-30 (2011) Article DOI: 10.1021/jm200235u BindingDB Entry DOI: 10.7270/Q25T3KW8
					More data for this Ligand-Target Pair
Adenosine deaminase (Homo sapiens (Human))	BDBM22917 (1-(1-hydroxy-4-phenylbutan-2-yl)-1H-imidazole-4-ca...) Show SMILES NC(=O)c1cn(cn1)C(CO)CCc1ccccc1 Show InChI InChI=1S/C14H17N3O2/c15-14(19)13-8-17(10-16-13)12(9-18)7-6-11-4-2-1-3-5-11/h1-5,8,10,12,18H,6-7,9H2,(H2,15,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.90E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Addis Ababa University Curated by ChEMBL					Assay Description Inhibition of human ADA				Bioorg Med Chem 15: 3728-36 (2007) Article DOI: 10.1016/j.bmc.2007.03.048 BindingDB Entry DOI: 10.7270/Q21Z4433
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8364 (CHEMBL260416 | N-[6-(3-bromo-4-hydroxyphenyl)-1H-p...) Show SMILES Oc1ccc(cc1Br)-c1ccc2c(NC(=O)C3CC3)n[nH]c2n1 Show InChI InChI=1S/C16H13BrN4O2/c17-11-7-9(3-6-13(11)22)12-5-4-10-14(18-12)20-21-15(10)19-16(23)8-1-2-8/h3-8,22H,1-2H2,(H2,18,19,20,21,23)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair				3D Structure (docked)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50193591 (CHEMBL3949218) Show SMILES COc1ccc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)cc1[N+]([O-])=O Show InChI InChI=1S/C18H15N3O4S/c1-25-15-8-7-13(9-14(15)21(23)24)10-16-17(22)20-18(26-16)19-11-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,19,20,22)/b16-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay				Eur J Med Chem 121: 727-736 (2016) Article DOI: 10.1016/j.ejmech.2016.04.075 BindingDB Entry DOI: 10.7270/Q2SJ1NK4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50272123 (CHEMBL500804 | N-(1,3a-dihydrocyclopenta[c]pyrazol...) Show SMILES O=C(Nc1[nH][nH]c2cccc12)C1CC1 Show InChI InChI=1S/C10H11N3O/c14-10(6-4-5-6)11-9-7-2-1-3-8(7)12-13-9/h1-3,6,12-13H,4-5H2,(H,11,14)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8349 (6-aryl-pyrazolo[3,4-b]pyridine analogue 13 | CHEMB...) Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1Br Show InChI InChI=1S/C16H13BrN4O2/c17-12-7-11-14(18-13(12)8-3-5-10(22)6-4-8)20-21-15(11)19-16(23)9-1-2-9/h3-7,9,22H,1-2H2,(H2,18,19,20,21,23)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8348 (6-aryl-pyrazolo[3,4-b]pyridine analogue 12 | CHEMB...) Show SMILES Oc1ccc(cc1)-c1nc2[nH]nc(NC(=O)C3CC3)c2cc1-c1ccccc1 Show InChI InChI=1S/C22H18N4O2/c27-16-10-8-14(9-11-16)19-17(13-4-2-1-3-5-13)12-18-20(23-19)25-26-21(18)24-22(28)15-6-7-15/h1-5,8-12,15,27H,6-7H2,(H2,23,24,25,26,28)	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	5	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50193589 (CHEMBL3940448) Show SMILES [O-][N+](=O)c1cc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)ccc1Cl Show InChI InChI=1S/C17H12ClN3O3S/c18-13-7-6-12(8-14(13)21(23)24)9-15-16(22)20-17(25-15)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,19,20,22)/b15-9-	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	24	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay				Eur J Med Chem 121: 727-736 (2016) Article DOI: 10.1016/j.ejmech.2016.04.075 BindingDB Entry DOI: 10.7270/Q2SJ1NK4
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50193567 (CHEMBL2206750) Show SMILES Oc1ccc(\C=C2/SC(NCc3ccccc3)=NC2=O)cc1 |c:17| Show InChI InChI=1S/C17H14N2O2S/c20-14-8-6-12(7-9-14)10-15-16(21)19-17(22-15)18-11-13-4-2-1-3-5-13/h1-10,20H,11H2,(H,18,19,21)/b15-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay				Eur J Med Chem 121: 727-736 (2016) Article DOI: 10.1016/j.ejmech.2016.04.075 BindingDB Entry DOI: 10.7270/Q2SJ1NK4
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50193561 (CHEMBL3968891) Show SMILES Oc1ccc(\C=C2/S\C(NC2=O)=N/c2ccccc2)cc1 Show InChI InChI=1S/C16H12N2O2S/c19-13-8-6-11(7-9-13)10-14-15(20)18-16(21-14)17-12-4-2-1-3-5-12/h1-10,19H,(H,17,18,20)/b14-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay				Eur J Med Chem 121: 727-736 (2016) Article DOI: 10.1016/j.ejmech.2016.04.075 BindingDB Entry DOI: 10.7270/Q2SJ1NK4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50030474 (Avandamet | Avandaryl | Avandia | BRL-49653 | CHEB...) Show SMILES CN(CCOc1ccc(CC2SC(=O)NC2=O)cc1)c1ccccn1 Show InChI InChI=1S/C18H19N3O3S/c1-21(16-4-2-3-9-19-16)10-11-24-14-7-5-13(6-8-14)12-15-17(22)20-18(23)25-15/h2-9,15H,10-12H2,1H3,(H,20,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Similars	DrugBank PDB Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human PPAR-gamma receptor by FRET assay				Eur J Med Chem 108: 423-35 (2016) Article DOI: 10.1016/j.ejmech.2015.11.030 BindingDB Entry DOI: 10.7270/Q2KP841X
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50193590 (CHEMBL3969996) Show SMILES Fc1ccc(\C=C2/S\C(NC2=O)=N/c2ccccc2)cc1 Show InChI InChI=1S/C16H11FN2OS/c17-12-8-6-11(7-9-12)10-14-15(20)19-16(21-14)18-13-4-2-1-3-5-13/h1-10H,(H,18,19,20)/b14-10-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay				Eur J Med Chem 121: 727-736 (2016) Article DOI: 10.1016/j.ejmech.2016.04.075 BindingDB Entry DOI: 10.7270/Q2SJ1NK4
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50193568 (CHEMBL3922494) Show SMILES COc1ccc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)cc1OC Show InChI InChI=1S/C19H18N2O3S/c1-23-15-9-8-14(10-16(15)24-2)11-17-18(22)21-19(25-17)20-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H,20,21,22)/b17-11-	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	44	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay				Eur J Med Chem 121: 727-736 (2016) Article DOI: 10.1016/j.ejmech.2016.04.075 BindingDB Entry DOI: 10.7270/Q2SJ1NK4
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM25351 (N-[2-(4-{[(4-fluorophenyl)methyl]carbamoyl}-5-hydr...) Show SMILES Cc1nnc(o1)C(=O)NC(C)(C)c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C Show InChI InChI=1S/C20H21FN6O5/c1-10-25-26-17(32-10)16(30)24-20(2,3)19-23-13(14(28)18(31)27(19)4)15(29)22-9-11-5-7-12(21)8-6-11/h5-8,28H,9H2,1-4H3,(H,22,29)(H,24,30)	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50193593 (CHEMBL3950215) Show SMILES CCOc1cc(\C=C2/S\C(NC2=O)=N/Cc2ccccc2)ccc1O Show InChI InChI=1S/C19H18N2O3S/c1-2-24-16-10-14(8-9-15(16)22)11-17-18(23)21-19(25-17)20-12-13-6-4-3-5-7-13/h3-11,22H,2,12H2,1H3,(H,20,21,23)/b17-11-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay				Eur J Med Chem 121: 727-736 (2016) Article DOI: 10.1016/j.ejmech.2016.04.075 BindingDB Entry DOI: 10.7270/Q2SJ1NK4
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8357 (6-aryl-pyrazolo[3,4-b]pyridine analogue 21 | CHEMB...) Show SMILES CCN1CCN(CCCC(=O)Nc2n[nH]c3nc(c(Br)cc23)-c2ccc(O)cc2)CC1 Show InChI InChI=1S/C22H27BrN6O2/c1-2-28-10-12-29(13-11-28)9-3-4-19(31)24-21-17-14-18(23)20(25-22(17)27-26-21)15-5-7-16(30)8-6-15/h5-8,14,30H,2-4,9-13H2,1H3,(H2,24,25,26,27,31)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50193588 (CHEMBL567958) Show SMILES COc1ccc(\C=C2/SC(=N)NC2=O)cc1OC Show InChI InChI=1S/C12H12N2O3S/c1-16-8-4-3-7(5-9(8)17-2)6-10-11(15)14-12(13)18-10/h3-6H,1-2H3,(H2,13,14,15)/b10-6-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	81	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay				Eur J Med Chem 121: 727-736 (2016) Article DOI: 10.1016/j.ejmech.2016.04.075 BindingDB Entry DOI: 10.7270/Q2SJ1NK4
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50193592 (CHEMBL3926696) Show SMILES OC(=O)c1cc(\C=C2/SC(=N)NC2=O)ccc1O Show InChI InChI=1S/C11H8N2O4S/c12-11-13-9(15)8(18-11)4-5-1-2-7(14)6(3-5)10(16)17/h1-4,14H,(H,16,17)(H2,12,13,15)/b8-4-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	85	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of His-tagged full length human recombinant GSK-3beta expressed in Baculovirus using Ser/Thr9 peptide as substrate by Z' LYTE assay				Eur J Med Chem 121: 727-736 (2016) Article DOI: 10.1016/j.ejmech.2016.04.075 BindingDB Entry DOI: 10.7270/Q2SJ1NK4
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265301 (5-(4-phenoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)...) Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(-[#8]-c3ccccc3)cc2)-[#6](=O)-[#7]-1 Show InChI InChI=1S/C17H12N2O4/c20-15-14(16(21)19-17(22)18-15)10-11-6-8-13(9-7-11)23-12-4-2-1-3-5-12/h1-10H,(H2,18,19,20,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Homo sapiens (Human))	BDBM50137109 (CHEMBL3754507) Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]/c2ccc(-[#8]-[#6]-c3ccccc3)cc2)-[#6](=O)-[#7]-1 Show InChI InChI=1S/C18H14N2O4/c21-16-15(17(22)20-18(23)19-16)10-12-6-8-14(9-7-12)24-11-13-4-2-1-3-5-13/h1-10H,11H2,(H2,19,20,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research (NIPER) Curated by ChEMBL					Assay Description Binding affinity to GST-tagged human PPAR-gamma receptor by FRET assay				Eur J Med Chem 108: 423-35 (2016) Article DOI: 10.1016/j.ejmech.2015.11.030 BindingDB Entry DOI: 10.7270/Q2KP841X
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Rattus norvegicus)	BDBM50271605 (2-(4-(2-fluorobenzyloxy)benzyl)-3-hydroxynaphthale...) Show SMILES Fc1ccccc1COc1ccc(CC2C(=O)C(=O)c3ccccc3C2=O)cc1 Show InChI InChI=1S/C24H17FO4/c25-21-8-4-1-5-16(21)14-29-17-11-9-15(10-12-17)13-20-22(26)18-6-2-3-7-19(18)23(27)24(20)28/h1-12,20H,13-14H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes				Bioorg Med Chem Lett 18: 3192-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.072 BindingDB Entry DOI: 10.7270/Q2J9665P
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265171 (4-(4-((2,4,6-trioxotetrahydropyrimidin-5(6H)-ylide...) Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(-[#8]-[#6]-[#6]-[#8]-c3ccc(cc3)C#N)cc2)-[#6](=O)-[#7]-1 Show InChI InChI=1S/C20H15N3O5/c21-12-14-3-7-16(8-4-14)28-10-9-27-15-5-1-13(2-6-15)11-17-18(24)22-20(26)23-19(17)25/h1-8,11H,9-10H2,(H2,22,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265213 (5-(4-((4-methoxyphenoxy)methyl)benzylidene)pyrimid...) Show SMILES [#6]-[#8]-c1ccc(-[#8]-[#6]-[#6]-[#8]-c2ccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-3=O)cc2)cc1 Show InChI InChI=1S/C20H18N2O6/c1-26-14-6-8-16(9-7-14)28-11-10-27-15-4-2-13(3-5-15)12-17-18(23)21-20(25)22-19(17)24/h2-9,12H,10-11H2,1H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8387 (CHEMBL318522 | N-[6-(thiophen-2-yl)-1H-indazol-3-y...) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1cccs1)C1CC1 Show InChI InChI=1S/C15H13N3OS/c19-15(9-3-4-9)16-14-11-6-5-10(8-12(11)17-18-14)13-2-1-7-20-13/h1-2,5-9H,3-4H2,(H2,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	341	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499576 (CHEMBL3741323) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(F)cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C25H21FN2O4/c1-16(29)13-25-23-15-21(28(30)31)8-3-18(23)14-24(17-4-11-22(32-2)12-5-17)27(25)20-9-6-19(26)7-10-20/h3-12,14-15,25H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	460	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8388 (CHEMBL260928 | N-[6-(thiophen-3-yl)-1H-indazol-3-y...) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccsc1)C1CC1 Show InChI InChI=1S/C15H13N3OS/c19-15(9-1-2-9)16-14-12-4-3-10(7-13(12)17-18-14)11-5-6-20-8-11/h3-9H,1-2H2,(H2,16,17,18,19)	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	484	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8384 (CHEMBL260929 | N-[6-(1H-pyrrol-2-yl)-1H-indazol-3-...) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccc[nH]1)C1CC1 Show InChI InChI=1S/C15H14N4O/c20-15(9-3-4-9)17-14-11-6-5-10(8-13(11)18-19-14)12-2-1-7-16-12/h1-2,5-9,16H,3-4H2,(H2,17,18,19,20)	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	497	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265270 (5-(4-((10H-phenoxazin-10-yl)methyl)benzylidene)pyr...) Show SMILES O=[#6]-1-[#7]-[#6](=O)\[#6](=[#6]\c2ccc(-[#8]-[#6]-[#6]-[#7]-3-c4ccccc4-[#8]-c4ccccc-34)cc2)-[#6](=O)-[#7]-1 Show InChI InChI=1S/C25H19N3O5/c29-23-18(24(30)27-25(31)26-23)15-16-9-11-17(12-10-16)32-14-13-28-19-5-1-3-7-21(19)33-22-8-4-2-6-20(22)28/h1-12,15H,13-14H2,(H2,26,27,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499565 (CHEMBL3740792) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(C)cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C26H24N2O4/c1-17-4-9-21(10-5-17)27-25(19-7-12-23(32-3)13-8-19)15-20-6-11-22(28(30)31)16-24(20)26(27)14-18(2)29/h4-13,15-16,26H,14H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8385 (CHEMBL421207 | N-[6-(furan-2-yl)-1H-indazol-3-yl]c...) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccco1)C1CC1 Show InChI InChI=1S/C15H13N3O2/c19-15(9-3-4-9)16-14-11-6-5-10(8-12(11)17-18-14)13-2-1-7-20-13/h1-2,5-9H,3-4H2,(H2,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8389 (CHEMBL260231 | N-[5-bromo-6-(thiophen-2-yl)-1H-pyr...) Show SMILES Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1cccs1 Show InChI InChI=1S/C14H11BrN4OS/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)	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	639	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499576 (CHEMBL3741323) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(F)cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C25H21FN2O4/c1-16(29)13-25-23-15-21(28(30)31)8-3-18(23)14-24(17-4-11-22(32-2)12-5-17)27(25)20-9-6-19(26)7-10-20/h3-12,14-15,25H,13H2,1-2H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	640	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499565 (CHEMBL3740792) Show SMILES COc1ccc(cc1)C1=Cc2ccc(cc2C(CC(C)=O)N1c1ccc(C)cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C26H24N2O4/c1-17-4-9-21(10-5-17)27-25(19-7-12-23(32-3)13-8-19)15-20-6-11-22(28(30)31)16-24(20)26(27)14-18(2)29/h4-13,15-16,26H,14H2,1-3H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499568 (CHEMBL3739466) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(C[N+]([O-])=O)N1c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C23H18ClFN2O3/c1-30-20-10-3-15(4-11-20)22-12-16-2-7-18(25)13-21(16)23(14-26(28)29)27(22)19-8-5-17(24)6-9-19/h2-13,23H,14H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Rattus norvegicus)	BDBM50049240 ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosigliatzone from PPARgamma in rat adipocytes				Bioorg Med Chem Lett 18: 3192-5 (2008) Article DOI: 10.1016/j.bmcl.2008.04.072 BindingDB Entry DOI: 10.7270/Q2J9665P
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50049240 ((+-)-5-((4-(2-(5-ethyl-2-pyridinyl)ethoxy)phenyl)m...) Show SMILES CCc1ccc(CCOc2ccc(Cc3sc(=O)[nH]c3O)cc2)nc1 Show InChI InChI=1S/C19H20N2O3S/c1-2-13-3-6-15(20-12-13)9-10-24-16-7-4-14(5-8-16)11-17-18(22)21-19(23)25-17/h3-8,12,22H,2,9-11H2,1H3,(H,21,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	700	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499568 (CHEMBL3739466) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(C[N+]([O-])=O)N1c1ccc(Cl)cc1 |t:9| Show InChI InChI=1S/C23H18ClFN2O3/c1-30-20-10-3-15(4-11-20)22-12-16-2-7-18(25)13-21(16)23(14-26(28)29)27(22)19-8-5-17(24)6-9-19/h2-13,23H,14H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase G140S mutant strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by ...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor gamma (Mus musculus)	BDBM50265211 (5-(3-(2-(p-tolyloxy)ethoxy)benzylidene)pyrimidine-...) Show SMILES [#6]-c1ccc(-[#8]-[#6]-[#6]-[#8]-c2cccc(\[#6]=[#6]-3\[#6](=O)-[#7]-[#6](=O)-[#7]-[#6]-3=O)c2)cc1 Show InChI InChI=1S/C20H18N2O5/c1-13-5-7-15(8-6-13)26-9-10-27-16-4-2-3-14(11-16)12-17-18(23)21-20(25)22-19(17)24/h2-8,11-12H,9-10H2,1H3,(H2,21,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	800	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Displacement of [3H]rosiglitazone from mouse PPARgamma receptor by scintillation proximation assay				Bioorg Med Chem Lett 18: 4959-62 (2008) Article DOI: 10.1016/j.bmcl.2008.08.028 BindingDB Entry DOI: 10.7270/Q2X066VZ
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50499572 (CHEMBL3739970) Show SMILES COc1ccc(cc1)C1=Cc2ccc(F)cc2C(CC(=O)CO)N1c1ccc(cc1)[N+]([O-])=O |t:9| Show InChI InChI=1S/C25H21FN2O5/c1-33-22-10-3-16(4-11-22)24-12-17-2-5-18(26)13-23(17)25(14-21(30)15-29)27(24)19-6-8-20(9-7-19)28(31)32/h2-13,25,29H,14-15H2,1H3	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	820	n/a	n/a	n/a	n/a	n/a	n/a
University of Delhi Curated by ChEMBL					Assay Description Inhibition of HIV-1 integrase strand transfer activity preincubated for 30 mins followed by addition of FITC-labelled dsDNA for 1 hr by microplate re...				ACS Med Chem Lett 6: 1065-70 (2015) Article DOI: 10.1021/acsmedchemlett.5b00230 BindingDB Entry DOI: 10.7270/Q2348PDM
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8394 (CHEMBL406644 | N-[5-bromo-6-(1,3-thiazol-2-yl)-1H-...) Show SMILES Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1nccs1 Show InChI InChI=1S/C15H14BrN5OS/c16-10-7-9-12(18-11(10)15-17-5-6-23-15)20-21-13(9)19-14(22)8-3-1-2-4-8/h5-8H,1-4H2,(H2,18,19,20,21,22)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8369 (CHEMBL405021 | N-(6-phenyl-1H-indazol-3-yl)cyclopr...) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccccc1)C1CC1 Show InChI InChI=1S/C17H15N3O/c21-17(12-6-7-12)18-16-14-9-8-13(10-15(14)19-20-16)11-4-2-1-3-5-11/h1-5,8-10,12H,6-7H2,(H2,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8371 (CHEMBL261659 | N-[6-(1H-indol-5-yl)-1H-indazol-3-y...) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccc2[nH]ccc2c1)C1CC1 Show InChI InChI=1S/C19H16N4O/c24-19(11-1-2-11)21-18-15-5-3-13(10-17(15)22-23-18)12-4-6-16-14(9-12)7-8-20-16/h3-11,20H,1-2H2,(H2,21,22,23,24)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8374 (CHEMBL407113 | N-[6-(3-sulfamoylphenyl)-1H-indazol...) Show SMILES NS(=O)(=O)c1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C17H16N4O3S/c18-25(23,24)13-3-1-2-11(8-13)12-6-7-14-15(9-12)20-21-16(14)19-17(22)10-4-5-10/h1-3,6-10H,4-5H2,(H2,18,23,24)(H2,19,20,21,22)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8382 (CHEMBL261660 | N-[6-(3-fluorophenyl)-1H-indazol-3-...) Show SMILES Fc1cccc(c1)-c1ccc2c(NC(=O)C3CC3)n[nH]c2c1 Show InChI InChI=1S/C17H14FN3O/c18-13-3-1-2-11(8-13)12-6-7-14-15(9-12)20-21-16(14)19-17(22)10-4-5-10/h1-3,6-10H,4-5H2,(H2,19,20,21,22)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8386 (CHEMBL260243 | N-[6-(furan-3-yl)-1H-indazol-3-yl]c...) Show SMILES O=C(Nc1n[nH]c2cc(ccc12)-c1ccoc1)C1CC1 Show InChI InChI=1S/C15H13N3O2/c19-15(9-1-2-9)16-14-12-4-3-10(7-13(12)17-18-14)11-5-6-20-8-11/h3-9H,1-2H2,(H2,16,17,18,19)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8390 (CHEMBL407980 | N-[5-bromo-6-(thiophen-2-yl)-1H-pyr...) Show SMILES Brc1cc2c(NC(=O)C3CCCC3)n[nH]c2nc1-c1cccs1 Show InChI InChI=1S/C16H15BrN4OS/c17-11-8-10-14(18-13(11)12-6-3-7-23-12)20-21-15(10)19-16(22)9-4-1-2-5-9/h3,6-9H,1-2,4-5H2,(H2,18,19,20,21,22)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8391 (CHEMBL101804 | N-[6-(furan-2-yl)-1H-pyrazolo[3,4-b...) Show SMILES O=C(Nc1n[nH]c2nc(ccc12)-c1ccco1)C1CC1 Show InChI InChI=1S/C14H12N4O2/c19-14(8-3-4-8)16-13-9-5-6-10(11-2-1-7-20-11)15-12(9)17-18-13/h1-2,5-8H,3-4H2,(H2,15,16,17,18,19)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM8392 (CHEMBL408564 | N-[5-bromo-6-(furan-2-yl)-1H-pyrazo...) Show SMILES Brc1cc2c(NC(=O)C3CC3)n[nH]c2nc1-c1ccco1 Show InChI InChI=1S/C14H11BrN4O2/c15-9-6-8-12(16-11(9)10-2-1-5-21-10)18-19-13(8)17-14(20)7-3-4-7/h1-2,5-7H,3-4H2,(H2,16,17,18,19,20)	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	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
National Institute of Pharmaceutical Education and Research Curated by ChEMBL					Assay Description Inhibition of CDK2 (unknown origin)				Eur J Med Chem 43: 949-57 (2008) Article DOI: 10.1016/j.ejmech.2007.06.016 BindingDB Entry DOI: 10.7270/Q2RJ4J8P
					More data for this Ligand-Target Pair

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