Compile Data Set for Download or QSAR

Found 94 hits with Last Name = 'prabhu' and Initial = 'a'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248094 (VX-497 (2)) Show SMILES COc1cc(NC(=O)Nc2cccc(CNC(=O)OC3CCOC3)c2)ccc1-c1cnco1 Show InChI InChI=1S/C23H24N4O6/c1-30-20-10-17(5-6-19(20)21-12-24-14-32-21)27-22(28)26-16-4-2-3-15(9-16)11-25-23(29)33-18-7-8-31-13-18/h2-6,9-10,12,14,18H,7-8,11,13H2,1H3,(H,25,29)(H2,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM19264 ((4E)-6-(4-hydroxy-6-methoxy-7-methyl-3-oxo-1,3-dih...) Show SMILES COc1c(C)c2COC(=O)c2c(O)c1C\C=C(/C)CCC(O)=O Show InChI InChI=1S/C17H20O6/c1-9(5-7-13(18)19)4-6-11-15(20)14-12(8-23-17(14)21)10(2)16(11)22-3/h4,20H,5-8H2,1-3H3,(H,18,19)/b9-4+	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	n/a	n/a	130	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50320968 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248096 (IMPDH II inhibitor, 13) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(OC)c(OC)c2)c1 |r| Show InChI InChI=1S/C23H28N4O5/c1-5-19(11-12-24)32-23(29)25-15(2)16-7-6-8-17(13-16)26-22(28)27-18-9-10-20(30-3)21(14-18)31-4/h6-10,13-15,19H,5,11H2,1-4H3,(H,25,29)(H2,26,27,28)/t15-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320969 (CHEMBL1164353 | Phenyl-1H-pyrazol-3-yl)-1H-indole-...) Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	330	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248095 (VX-148 (3)) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C#N)c(OC)c2)c1 |r| Show InChI InChI=1S/C23H25N5O4/c1-4-20(10-11-24)32-23(30)26-15(2)16-6-5-7-18(12-16)27-22(29)28-19-9-8-17(14-25)21(13-19)31-3/h5-9,12-13,15,20H,4,10H2,1-3H3,(H,26,30)(H2,27,28,29)/t15-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50320970 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(12-26-30-14)11-24-23(29)17-8-7-16-9-21(27-20(16)10-17)22-19(13-25-28-22)15-5-3-2-4-6-15/h2-10,12-13,27H,11H2,1H3,(H,24,29)(H,25,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320992 (2-(5-Benzyl-1H-pyrazol-3-yl)-3-[(4-fluorobenzylami...) Show SMILES CC(C)CN(C)C(=O)c1ccc2c(CNCc3ccc(F)cc3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C32H34FN5O/c1-21(2)20-38(3)32(39)24-11-14-27-28(19-34-18-23-9-12-25(33)13-10-23)31(35-29(27)16-24)30-17-26(36-37-30)15-22-7-5-4-6-8-22/h4-14,16-17,21,34-35H,15,18-20H2,1-3H3,(H,36,37)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50320967 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,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	540	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320979 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H26N4O/c1-16(2)15-28(3)24(29)19-10-9-18-12-22(25-21(18)13-19)23-14-20(26-27-23)11-17-7-5-4-6-8-17/h4-10,12-14,16,25H,11,15H2,1-3H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	560	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50320967 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,26,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320968 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320970 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(12-26-30-14)11-24-23(29)17-8-7-16-9-21(27-20(16)10-17)22-19(13-25-28-22)15-5-3-2-4-6-15/h2-10,12-13,27H,11H2,1H3,(H,24,29)(H,25,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320978 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-15-25-13-20(30)14-26-24(31)18-8-7-17-10-22(27-21(17)11-18)23-12-19(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-13,15,27H,9,14H2,1H3,(H,26,31)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320994 (2-(5-Benzyl-1H-pyrazol-3-yl)-3-morpholin-4-ylmethy...) Show SMILES Cn1cncc1CNC(=O)c1ccc2c(CN3CCOCC3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C29H31N7O2/c1-35-19-30-16-23(35)17-31-29(37)21-7-8-24-25(18-36-9-11-38-12-10-36)28(32-26(24)14-21)27-15-22(33-34-27)13-20-5-3-2-4-6-20/h2-8,14-16,19,32H,9-13,17-18H2,1H3,(H,31,37)(H,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320967 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,26,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320991 (2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(24-19(17)12-18)22-13-20(25-26-22)16-7-5-4-6-8-16/h4-13,15,24H,14H2,1-3H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	850	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320989 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-20(9-10-26-30)15-25-24(31)18-8-7-17-12-22(27-21(17)13-18)23-14-19(28-29-23)11-16-5-3-2-4-6-16/h2-10,12-14,27H,11,15H2,1H3,(H,25,31)(H,28,29)	PDB MMDB 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
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320972 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES O=C(NCc1cnccn1)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(26-13-18-12-24-8-9-25-18)17-7-6-16-10-21(28-20(16)11-17)22-19(14-27-29-22)15-4-2-1-3-5-15/h1-12,14,28H,13H2,(H,26,30)(H,27,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50320968 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28)	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320977 (2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-12-18(29)13-25-23(30)17-8-7-16-9-21(26-19(16)10-17)22-11-20(27-28-22)15-5-3-2-4-6-15/h2-12,14,26H,13H2,1H3,(H,25,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320987 (2-(5-Benzyl-1H-pyrazol-3-yl)-3-hydroxymethyl-1Hind...) Show SMILES Cn1nccc1CNC(=O)c1ccc2c(CO)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C25H24N6O2/c1-31-19(9-10-27-31)14-26-25(33)17-7-8-20-21(15-32)24(28-22(20)12-17)23-13-18(29-30-23)11-16-5-3-2-4-6-16/h2-10,12-13,28,32H,11,14-15H2,1H3,(H,26,33)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320975 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C20H18N4O/c1-21-20(25)15-8-7-14-10-18(22-17(14)11-15)19-12-16(23-24-19)9-13-5-3-2-4-6-13/h2-8,10-12,22H,9H2,1H3,(H,21,25)(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.63E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320974 (2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(13-25-30-14)12-24-23(29)17-8-7-16-9-21(26-19(16)10-17)22-11-20(27-28-22)15-5-3-2-4-6-15/h2-11,13,26H,12H2,1H3,(H,24,29)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.82E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320971 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc3cc([nH]c3c2)-c2n[nH]cc2-c2ccccc2)cn1 Show InChI InChI=1S/C25H18F3N5O/c26-25(27,28)22-9-6-15(12-29-22)13-30-24(34)18-8-7-17-10-21(32-20(17)11-18)23-19(14-31-33-23)16-4-2-1-3-5-16/h1-12,14,32H,13H2,(H,30,34)(H,31,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320976 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H21N5O2/c1-15-19(14-26-31-15)13-25-24(30)18-8-7-17-10-22(27-21(17)11-18)23-12-20(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-12,14,27H,9,13H2,1H3,(H,25,30)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320980 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES O=C(NCc1cnccn1)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H20N6O/c31-24(27-15-20-14-25-8-9-26-20)18-7-6-17-11-22(28-21(17)12-18)23-13-19(29-30-23)10-16-4-2-1-3-5-16/h1-9,11-14,28H,10,15H2,(H,27,31)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.06E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50320970 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(12-26-30-14)11-24-23(29)17-8-7-16-9-21(27-20(16)10-17)22-19(13-25-28-22)15-5-3-2-4-6-15/h2-10,12-13,27H,11H2,1H3,(H,24,29)(H,25,28)	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	2.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320973 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES COCCNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C21H20N4O2/c1-27-10-9-22-21(26)16-8-7-15-11-19(24-18(15)12-16)20-17(13-23-25-20)14-5-3-2-4-6-14/h2-8,11-13,24H,9-10H2,1H3,(H,22,26)(H,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248113 (IMPDH II inhibitor, 32) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(N\C(Nc2ccc(C#N)c(OC)c2)=N\C#N)c1 |r| Show InChI InChI=1S/C24H25N7O3/c1-4-21(10-11-25)34-24(32)29-16(2)17-6-5-7-19(12-17)30-23(28-15-27)31-20-9-8-18(14-26)22(13-20)33-3/h5-9,12-13,16,21H,4,10H2,1-3H3,(H,29,32)(H2,28,30,31)/t16-,21?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320981 (2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES COCCNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C21H20N4O2/c1-27-10-9-22-21(26)16-8-7-15-11-19(23-17(15)12-16)20-13-18(24-25-20)14-5-3-2-4-6-14/h2-8,11-13,23H,9-10H2,1H3,(H,22,26)(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50320969 (CHEMBL1164353 | Phenyl-1H-pyrazol-3-yl)-1H-indole-...) Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320984 (2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-25-29)14-24-23(30)17-8-7-16-11-21(26-19(16)12-17)22-13-20(27-28-22)15-5-3-2-4-6-15/h2-13,26H,14H2,1H3,(H,24,30)(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248099 (IMPDH II inhibitor, 16) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C3=CCOCC3)c(OC)c2)c1 |r,t:25| Show InChI InChI=1S/C27H32N4O5/c1-4-23(10-13-28)36-27(33)29-18(2)20-6-5-7-21(16-20)30-26(32)31-22-8-9-24(25(17-22)34-3)19-11-14-35-15-12-19/h5-9,11,16-18,23H,4,10,12,14-15H2,1-3H3,(H,29,33)(H2,30,31,32)/t18-,23?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320983 (2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES O=C(NCc1cnccn1)c1ccc2cc([nH]c2c1)-c1cc([nH]n1)-c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(26-14-18-13-24-8-9-25-18)17-7-6-16-10-21(27-19(16)11-17)22-12-20(28-29-22)15-4-2-1-3-5-15/h1-13,27H,14H2,(H,26,30)(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.36E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320988 (2-(5-benzyl-1H-pyrazol-3-yl)-N-methyl-3-((pyridin-...) Show SMILES CNC(=O)c1ccc2c(CNCc3ccncc3)c([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C27H26N6O/c1-28-27(34)20-7-8-22-23(17-30-16-19-9-11-29-12-10-19)26(31-24(22)14-20)25-15-21(32-33-25)13-18-5-3-2-4-6-18/h2-12,14-15,30-31H,13,16-17H2,1H3,(H,28,34)(H,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50320978 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-15-25-13-20(30)14-26-24(31)18-8-7-17-10-22(27-21(17)11-18)23-12-19(28-29-23)9-16-5-3-2-4-6-16/h2-8,10-13,15,27H,9,14H2,1H3,(H,26,31)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248114 (IMPDH II inhibitor, 33) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(N\C(Nc2ccc(OC)c(OC)c2)=N\C#N)c1 |r| Show InChI InChI=1S/C24H28N6O4/c1-5-20(11-12-25)34-24(31)28-16(2)17-7-6-8-18(13-17)29-23(27-15-26)30-19-9-10-21(32-3)22(14-19)33-4/h6-10,13-14,16,20H,5,11H2,1-4H3,(H,28,31)(H2,27,29,30)/t16-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.60E+3	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50320970 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cc1oncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H19N5O2/c1-14-18(12-26-30-14)11-24-23(29)17-8-7-16-9-21(27-20(16)10-17)22-19(13-25-28-22)15-5-3-2-4-6-15/h2-10,12-13,27H,11H2,1H3,(H,24,29)(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50320969 (CHEMBL1164353 | Phenyl-1H-pyrazol-3-yl)-1H-indole-...) Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26)	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	6.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length GSK3-beta assessed as inhibition of ATP consumption after 60 mins by luminescence assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50320967 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1cncc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-14-24-11-18(29)12-25-23(30)17-8-7-16-9-21(27-20(16)10-17)22-19(13-26-28-22)15-5-3-2-4-6-15/h2-11,13-14,27H,12H2,1H3,(H,25,30)(H,26,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50320968 (2-(4-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H20N6O/c1-29-18(9-10-26-29)13-24-23(30)17-8-7-16-11-21(27-20(16)12-17)22-19(14-25-28-22)15-5-3-2-4-6-15/h2-12,14,27H,13H2,1H3,(H,24,30)(H,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50320969 (CHEMBL1164353 | Phenyl-1H-pyrazol-3-yl)-1H-indole-...) Show SMILES CC(C)CN(C)C(=O)c1ccc2cc([nH]c2c1)-c1n[nH]cc1-c1ccccc1 Show InChI InChI=1S/C23H24N4O/c1-15(2)14-27(3)23(28)18-10-9-17-11-21(25-20(17)12-18)22-19(13-24-26-22)16-7-5-4-6-8-16/h4-13,15,25H,14H2,1-3H3,(H,24,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ITK/TSK (Homo sapiens (Human))	BDBM50320982 (2-(5-Phenyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES FC(F)(F)c1ccc(CNC(=O)c2ccc3cc([nH]c3c2)-c2cc([nH]n2)-c2ccccc2)cn1 Show InChI InChI=1S/C25H18F3N5O/c26-25(27,28)23-9-6-15(13-29-23)14-30-24(34)18-8-7-17-10-21(31-19(17)11-18)22-12-20(32-33-22)16-4-2-1-3-5-16/h1-13,31H,14H2,(H,30,34)(H,32,33)	PDB MMDB 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+4	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length recombinant ITK after 2 hrs by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248110 (IMPDH II inhibitor, 27) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3c(c2)occc3=O)c1 |r| Show InChI InChI=1S/C24H24N4O5/c1-3-19(9-11-25)33-24(31)26-15(2)16-5-4-6-17(13-16)27-23(30)28-18-7-8-20-21(29)10-12-32-22(20)14-18/h4-8,10,12-15,19H,3,9H2,1-2H3,(H,26,31)(H2,27,28,30)/t15-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248101 (IMPDH II inhibitor, 18) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3CCOc3c2)c1 |r| Show InChI InChI=1S/C23H26N4O4/c1-3-20(9-11-24)31-23(29)25-15(2)17-5-4-6-18(13-17)26-22(28)27-19-8-7-16-10-12-30-21(16)14-19/h4-8,13-15,20H,3,9-10,12H2,1-2H3,(H,25,29)(H2,26,27,28)/t15-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM50320989 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-20(9-10-26-30)15-25-24(31)18-8-7-17-12-22(27-21(17)13-18)23-14-19(28-29-23)11-16-5-3-2-4-6-16/h2-10,12-14,27H,11,15H2,1H3,(H,25,31)(H,28,29)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged full length CDK2/Cyclin E after 40 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248104 (IMPDH II inhibitor, 21) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc3n(C)cnc3c2)c1 |r| Show InChI InChI=1S/C23H26N6O3/c1-4-19(10-11-24)32-23(31)26-15(2)16-6-5-7-17(12-16)27-22(30)28-18-8-9-21-20(13-18)25-14-29(21)3/h5-9,12-15,19H,4,10H2,1-3H3,(H,26,31)(H2,27,28,30)/t15-,19?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Inosine-5'-monophosphate dehydrogenase 2 (Homo sapiens (Human))	BDBM248097 (IMPDH II inhibitor, 14) Show SMILES CCC(CC#N)OC(=O)N[C@@H](C)c1cccc(NC(=O)Nc2ccc(C)c(OC)c2)c1 |r| Show InChI InChI=1S/C23H28N4O4/c1-5-20(11-12-24)31-23(29)25-16(3)17-7-6-8-18(13-17)26-22(28)27-19-10-9-15(2)21(14-19)30-4/h6-10,13-14,16,20H,5,11H2,1-4H3,(H,25,29)(H2,26,27,28)/t16-,20?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90E+4	n/a	n/a	n/a	n/a	8.0	37
Nycomed					Assay Description The assay was performed in a 100 μL final volume in 96-well UV plates (Costar, 3635) with a reaction buffer composed of 50 mM Tris-HCl (pH 8.0), 1...				J Enzyme Inhib Med Chem 29: 408-19 (2014) Article DOI: 10.3109/14756366.2013.793184 BindingDB Entry DOI: 10.7270/Q28P5ZDV
					More data for this Ligand-Target Pair
Insulin receptor (Homo sapiens (Human))	BDBM50320989 (2-(5-Benzyl-1H-pyrazol-3-yl)-1H-indole-6-carboxyli...) Show SMILES Cn1nccc1CNC(=O)c1ccc2cc([nH]c2c1)-c1cc(Cc2ccccc2)[nH]n1 Show InChI InChI=1S/C24H22N6O/c1-30-20(9-10-26-30)15-25-24(31)18-8-7-17-12-22(27-21(17)13-18)23-14-19(28-29-23)11-16-5-3-2-4-6-16/h2-10,12-14,27H,11,15H2,1H3,(H,25,31)(H,28,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Nycomed Pharma Pvt. Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged recombinant INSR catalytic domain expressed in baculovirus-infected Sf21 cells after 80 mins by IMAP assay				Bioorg Med Chem 18: 4547-59 (2010) Article DOI: 10.1016/j.bmc.2010.04.056 BindingDB Entry DOI: 10.7270/Q2N29X4K
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 94 total )  |  Next  |  Last  >>

Jump to: