Compile Data Set for Download or QSAR

Found 347 hits with Last Name = 'keertikar' and Initial = 'k'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50280116 (CHEMBL4177355) Show SMILES [H][C@@]12CN([C@@H](CCc3c(F)cncc3NC(=O)[C@@H](N)[C@@H](c3ccc(Cl)cc3)c3cc(F)cc(F)c3)CN1)S(=O)(=O)CCC2 |r| Show InChI InChI=1S/C29H31ClF3N5O3S/c30-19-5-3-17(4-6-19)27(18-10-20(31)12-21(32)11-18)28(34)29(39)37-26-15-35-14-25(33)24(26)8-7-23-13-36-22-2-1-9-42(40,41)38(23)16-22/h3-6,10-12,14-15,22-23,27-28,36H,1-2,7-9,13,16,34H2,(H,37,39)/t22-,23+,27+,28+/m1/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) Show SMILES [H][C@@]1(CO[C@@]2([H])OCC[C@@]12[H])OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)CN(CC(C)C)S(=O)(=O)c1ccc(N)cc1 |r| Show InChI InChI=1S/C27H37N3O7S/c1-18(2)15-30(38(33,34)21-10-8-20(28)9-11-21)16-24(31)23(14-19-6-4-3-5-7-19)29-27(32)37-25-17-36-26-22(25)12-13-35-26/h3-11,18,22-26,31H,12-17,28H2,1-2H3,(H,29,32)/t22-,23-,24+,25-,26+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0130	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of GAR transformylase from Lactobacillus casei				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM13934 (Atazanavir | BMS 232632 | CGP 73547 | CHEMBL1163 |...) Show SMILES COC(=O)N[C@H](C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)CN(Cc1ccc(cc1)-c1ccccn1)NC(=O)[C@@H](NC(=O)OC)C(C)(C)C)C(C)(C)C |r| Show InChI InChI=1S/C38H52N6O7/c1-37(2,3)31(41-35(48)50-7)33(46)40-29(22-25-14-10-9-11-15-25)30(45)24-44(43-34(47)32(38(4,5)6)42-36(49)51-8)23-26-17-19-27(20-18-26)28-16-12-13-21-39-28/h9-21,29-32,45H,22-24H2,1-8H3,(H,40,46)(H,41,48)(H,42,49)(H,43,47)/t29-,30-,31+,32+/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.0400	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair				3D Structure (crystal)
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50190623 (CHEMBL3828743) Show SMILES N[C@@H]([C@@H](c1ccc(Cl)cc1)c1cc(F)cc(F)c1)C(=O)Nc1cncc(F)c1CC[C@@H]1CN[C@H](COC(=O)NCC(F)(F)F)CO1 |r| Show InChI InChI=1S/C30H30ClF6N5O4/c31-18-3-1-16(2-4-18)26(17-7-19(32)9-20(33)8-17)27(38)28(43)42-25-12-39-11-24(34)23(25)6-5-22-10-40-21(13-45-22)14-46-29(44)41-15-30(35,36)37/h1-4,7-9,11-12,21-22,26-27,40H,5-6,10,13-15,38H2,(H,41,44)(H,42,43)/t21-,22+,26-,27-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Inc Curated by ChEMBL					Assay Description Inhibition of HIV1 protease expressed in Escherichia coli using Val-Ser-Gln-Asn-(beta-naphtyl)Ala-Pro-Ile-Val as substrate preincubated for 30 mins f...				ACS Med Chem Lett 8: 1292-1297 (2017) Article DOI: 10.1021/acsmedchemlett.7b00386 BindingDB Entry DOI: 10.7270/Q2K35X57
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442673 (CHEMBL2442291) Show SMILES Cc1nnc(o1)-c1cccc(c1)-c1cnn2ccc(NCCN)nc12 Show InChI InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442690 (CHEMBL2442296) Show SMILES NCCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 Show InChI InChI=1S/C18H17N5/c19-8-9-20-17-7-10-23-18(22-17)16(12-21-23)15-6-5-13-3-1-2-4-14(13)11-15/h1-7,10-12H,8-9,19H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442685 (CHEMBL2442301) Show SMILES CCN1CCCC1CNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 Show InChI InChI=1S/C23H25N5/c1-2-27-12-5-8-20(27)15-24-22-11-13-28-23(26-22)21(16-25-28)19-10-9-17-6-3-4-7-18(17)14-19/h3-4,6-7,9-11,13-14,16,20H,2,5,8,12,15H2,1H3,(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	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM50442673 (CHEMBL2442291) Show SMILES Cc1nnc(o1)-c1cccc(c1)-c1cnn2ccc(NCCN)nc12 Show InChI InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim3 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442679 (CHEMBL2442302) Show SMILES NCCNc1ccn2ncc(-c3ccc4sccc4c3)c2n1 Show InChI InChI=1S/C16H15N5S/c17-5-6-18-15-3-7-21-16(20-15)13(10-19-21)11-1-2-14-12(9-11)4-8-22-14/h1-4,7-10H,5-6,17H2,(H,18,20)	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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442692 (CHEMBL2442317) Show SMILES N[C@@H]1CCCC[C@H]1Nc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 |r| Show InChI InChI=1S/C22H23N5/c23-19-7-3-4-8-20(19)25-21-11-12-27-22(26-21)18(14-24-27)17-10-9-15-5-1-2-6-16(15)13-17/h1-2,5-6,9-14,19-20H,3-4,7-8,23H2,(H,25,26)/t19-,20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334853 (6-chloro-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Cl)c(nc12)C1CCCNC1 Show InChI InChI=1S/C15H18ClN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334855 (6-iodo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(I)c(nc12)C1CCCNC1 Show InChI InChI=1S/C15H18IN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50223567 (3-bromo-5-(2-chlorophenyl)-N-(pyridin-3-ylmethyl)p...) Show SMILES Clc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C18H13BrClN5/c19-14-11-23-25-17(22-10-12-4-3-7-21-9-12)8-16(24-18(14)25)13-5-1-2-6-15(13)20/h1-9,11,22H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).				US Patent US8580782 (2013) BindingDB Entry DOI: 10.7270/Q2VM49WG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334854 (6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CCCNC1 Show InChI InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)12(16)13(21-15(11)23)9-3-2-4-18-5-9/h6-9,18H,2-5,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442693 (CHEMBL2442316) Show SMILES N[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 |r,wU:1.0,wD:4.7,(62.54,-18.45,;63.88,-17.68,;63.89,-16.14,;65.21,-15.38,;66.54,-16.16,;66.55,-17.69,;65.21,-18.46,;67.88,-15.39,;69.21,-16.16,;69.21,-17.7,;70.54,-18.47,;71.87,-17.7,;73.35,-18.18,;74.26,-16.93,;73.35,-15.67,;73.83,-14.21,;72.8,-13.07,;73.27,-11.61,;74.78,-11.28,;75.24,-9.82,;76.76,-9.51,;77.8,-10.65,;77.32,-12.12,;75.81,-12.43,;75.34,-13.89,;71.87,-16.15,;70.54,-15.39,)| Show InChI InChI=1S/C22H23N5/c23-18-7-9-19(10-8-18)25-21-11-12-27-22(26-21)20(14-24-27)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,11-14,18-19H,7-10,23H2,(H,25,26)/t18-,19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442681 (CHEMBL2442290) Show SMILES NCCNc1ccn2ncc(-c3cccc(c3)-c3ccco3)c2n1 Show InChI InChI=1S/C18H17N5O/c19-7-8-20-17-6-9-23-18(22-17)15(12-21-23)13-3-1-4-14(11-13)16-5-2-10-24-16/h1-6,9-12H,7-8,19H2,(H,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442686 (CHEMBL2442300) Show SMILES CN(C)CCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 Show InChI InChI=1S/C20H21N5/c1-24(2)12-10-21-19-9-11-25-20(23-19)18(14-22-25)17-8-7-15-5-3-4-6-16(15)13-17/h3-9,11,13-14H,10,12H2,1-2H3,(H,21,23)	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	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334849 (CHEMBL1643236 | Syn-5-((3-aminocyclohexyl)methyl)-...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(C[C@H]3CCC[C@@H](N)C3)nc12 |r| Show InChI InChI=1S/C17H22BrN7/c1-24-9-11(7-21-24)13-8-22-25-16(20)15(18)14(23-17(13)25)6-10-3-2-4-12(19)5-10/h7-10,12H,2-6,19-20H2,1H3/t10-,12+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442687 (CHEMBL2442299) Show SMILES NCCCNc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 Show InChI InChI=1S/C19H19N5/c20-9-3-10-21-18-8-11-24-19(23-18)17(13-22-24)16-7-6-14-4-1-2-5-15(14)12-16/h1-2,4-8,11-13H,3,9-10,20H2,(H,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM105239 (US8580782, 7) Show SMILES Clc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C18H13BrClN5/c19-14-11-23-25-17(22-10-12-5-7-21-8-6-12)9-16(24-18(14)25)13-3-1-2-4-15(13)20/h1-9,11,22H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	8.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).				US Patent US8580782 (2013) BindingDB Entry DOI: 10.7270/Q2VM49WG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334876 (6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(thiomorpho...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CNCCS1 Show InChI InChI=1S/C14H16BrN7S/c1-21-7-8(4-18-21)9-5-19-22-13(16)11(15)12(20-14(9)22)10-6-17-2-3-23-10/h4-5,7,10,17H,2-3,6,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442691 (CHEMBL2442295) Show SMILES C1CN(CCN1)c1ccn2ncc(-c3ccc4ccccc4c3)c2n1 Show InChI InChI=1S/C20H19N5/c1-2-4-16-13-17(6-5-15(16)3-1)18-14-22-25-10-7-19(23-20(18)25)24-11-8-21-9-12-24/h1-7,10,13-14,21H,8-9,11-12H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442698 (CHEMBL2442287) Show SMILES CN(C)CCNc1ccn2ncc(-c3cn[nH]c3)c2n1 Show InChI InChI=1S/C13H17N7/c1-19(2)6-4-14-12-3-5-20-13(18-12)11(9-17-20)10-7-15-16-8-10/h3,5,7-9H,4,6H2,1-2H3,(H,14,18)(H,15,16)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334848 (6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(CC3CCCNC3)nc12 Show InChI InChI=1S/C16H20BrN7/c1-23-9-11(7-20-23)12-8-21-24-15(18)14(17)13(22-16(12)24)5-10-3-2-4-19-6-10/h7-10,19H,2-6,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442678 (CHEMBL2442303) Show SMILES NCCNc1ccn2ncc(-c3ccc4scnc4c3)c2n1 Show InChI InChI=1S/C15H14N6S/c16-4-5-17-14-3-6-21-15(20-14)11(8-19-21)10-1-2-13-12(7-10)18-9-22-13/h1-3,6-9H,4-5,16H2,(H,17,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334847 (6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(pyrrolidin...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(CC3CCNC3)nc12 Show InChI InChI=1S/C15H18BrN7/c1-22-8-10(6-19-22)11-7-20-23-14(17)13(16)12(21-15(11)23)4-9-2-3-18-5-9/h6-9,18H,2-5,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442677 (CHEMBL2442304) Show SMILES NCCNc1ccn2ncc(-c3ccc4[nH]c(=O)[nH]c4c3)c2n1 Show InChI InChI=1S/C15H15N7O/c16-4-5-17-13-3-6-22-14(21-13)10(8-18-22)9-1-2-11-12(7-9)20-15(23)19-11/h1-3,6-8H,4-5,16H2,(H,17,21)(H2,19,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50442673 (CHEMBL2442291) Show SMILES Cc1nnc(o1)-c1cccc(c1)-c1cnn2ccc(NCCN)nc12 Show InChI InChI=1S/C17H17N7O/c1-11-22-23-17(25-11)13-4-2-3-12(9-13)14-10-20-24-8-5-15(19-7-6-18)21-16(14)24/h2-5,8-10H,6-7,18H2,1H3,(H,19,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim2 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334871 (6-bromo-3-(2-methylthiazol-5-yl)-5-(piperidin-3-yl...) Show SMILES Cc1ncc(s1)-c1cnn2c(N)c(Br)c(nc12)C1CCCNC1 Show InChI InChI=1S/C15H17BrN6S/c1-8-19-7-11(23-8)10-6-20-22-14(17)12(16)13(21-15(10)22)9-3-2-4-18-5-9/h6-7,9,18H,2-5,17H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334852 (3-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperi...) Show SMILES Cc1cc(Nc2cc(nc3c(cnn23)-c2cnn(C)c2)C2CCCNC2)sn1 Show InChI InChI=1S/C19H22N8S/c1-12-6-18(28-25-12)24-17-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(17)19)14-9-21-26(2)11-14/h6-7,9-11,13,20,24H,3-5,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334852 (3-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperi...) Show SMILES Cc1cc(Nc2cc(nc3c(cnn23)-c2cnn(C)c2)C2CCCNC2)sn1 Show InChI InChI=1S/C19H22N8S/c1-12-6-18(28-25-12)24-17-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(17)19)14-9-21-26(2)11-14/h6-7,9-11,13,20,24H,3-5,8H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant His-CHK1 expressed in baculovirus after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 467-70 (2010) Article DOI: 10.1016/j.bmcl.2010.10.113 BindingDB Entry DOI: 10.7270/Q2J966MH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442676 (CHEMBL2442305) Show SMILES NCCNc1ccn2ncc(-c3ccc4cn[nH]c4c3)c2n1 Show InChI InChI=1S/C15H15N7/c16-4-5-17-14-3-6-22-15(20-14)12(9-19-22)10-1-2-11-8-18-21-13(11)7-10/h1-3,6-9H,4-5,16H2,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442675 (CHEMBL2442307) Show SMILES NCCNc1ccn2ncc(-c3cccc(c3)-c3ccccc3)c2n1 Show InChI InChI=1S/C20H19N5/c21-10-11-22-19-9-12-25-20(24-19)18(14-23-25)17-8-4-7-16(13-17)15-5-2-1-3-6-15/h1-9,12-14H,10-11,21H2,(H,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM105239 (US8580782, 7) Show SMILES Clc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C18H13BrClN5/c19-14-11-23-25-17(22-10-12-5-7-21-8-6-12)9-16(24-18(14)25)13-3-1-2-4-15(13)20/h1-9,11,22H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).				US Patent US8580782 (2013) BindingDB Entry DOI: 10.7270/Q2VM49WG
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM105236 (US8580782, 4) Show SMILES Fc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C18H13BrFN5/c19-14-11-23-25-17(22-10-12-4-3-7-21-9-12)8-16(24-18(14)25)13-5-1-2-6-15(13)20/h1-9,11,22H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).				US Patent US8580782 (2013) BindingDB Entry DOI: 10.7270/Q2VM49WG
					More data for this Ligand-Target Pair
Cyclin-A1/Cyclin-A2/Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM50334914 (3-((3-bromo-5-(2-fluorophenyl)pyrazolo[1,5-a]pyrim...) Show SMILES [O-][n+]1cccc(CNc2cc(nc3c(Br)cnn23)-c2ccccc2F)c1 Show InChI InChI=1S/C18H13BrFN5O/c19-14-10-22-25-17(21-9-12-4-3-7-24(26)11-12)8-16(23-18(14)25)13-5-1-2-6-15(13)20/h1-8,10-11,21H,9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of CDK2/cyclin A				Bioorg Med Chem Lett 21: 467-70 (2010) Article DOI: 10.1016/j.bmcl.2010.10.113 BindingDB Entry DOI: 10.7270/Q2J966MH
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334869 (6-bromo-5-(piperidin-3-yl)-3-(pyridin-3-yl)pyrazol...) Show SMILES Nc1c(Br)c(nc2c(cnn12)-c1cccnc1)C1CCCNC1 Show InChI InChI=1S/C16H17BrN6/c17-13-14(11-4-2-6-20-8-11)22-16-12(9-21-23(16)15(13)18)10-3-1-5-19-7-10/h1,3,5,7,9,11,20H,2,4,6,8,18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334858 (6-cyclopropyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(pipe...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(C3CC3)c(nc12)C1CCCNC1 Show InChI InChI=1S/C18H23N7/c1-24-10-13(8-21-24)14-9-22-25-17(19)15(11-4-5-11)16(23-18(14)25)12-3-2-6-20-7-12/h8-12,20H,2-7,19H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442694 (CHEMBL2442315) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 |r,wU:1.0,wD:4.7,(45.99,-19.84,;47.33,-19.07,;47.33,-17.53,;48.66,-16.77,;49.99,-17.55,;50,-19.08,;48.66,-19.85,;51.32,-16.78,;52.66,-17.55,;52.65,-19.09,;53.99,-19.86,;55.32,-19.09,;56.79,-19.57,;57.7,-18.32,;56.79,-17.06,;57.27,-15.6,;56.25,-14.46,;56.72,-13,;58.23,-12.67,;58.69,-11.21,;60.21,-10.9,;61.24,-12.04,;60.76,-13.51,;59.26,-13.82,;58.78,-15.28,;55.32,-17.54,;53.98,-16.78,)| Show InChI InChI=1S/C22H22N4O/c27-19-9-7-18(8-10-19)24-21-11-12-26-22(25-21)20(14-23-26)17-6-5-15-3-1-2-4-16(15)13-17/h1-6,11-14,18-19,27H,7-10H2,(H,24,25)/t18-,19-	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50442677 (CHEMBL2442304) Show SMILES NCCNc1ccn2ncc(-c3ccc4[nH]c(=O)[nH]c4c3)c2n1 Show InChI InChI=1S/C15H15N7O/c16-4-5-17-13-3-6-22-14(21-13)10(8-18-22)9-1-2-11-12(7-9)20-15(23)19-11/h1-3,6-8H,4-5,16H2,(H,17,21)(H2,19,20,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim2 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM105234 (US8580782, 1) Show SMILES Brc1cnn2c(NCc3ccncc3)cc(nc12)-c1ccccc1 Show InChI InChI=1S/C18H14BrN5/c19-15-12-22-24-17(21-11-13-6-8-20-9-7-13)10-16(23-18(15)24)14-4-2-1-3-5-14/h1-10,12,21H,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank PC cid PC sid PDB UniChem Similars	PDB US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	8.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).				US Patent US8580782 (2013) BindingDB Entry DOI: 10.7270/Q2VM49WG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334912 (5-methyl-N-(3-(1-methyl-1H-pyrazol-4-yl)-5-(piperi...) Show SMILES Cc1cc(Nc2cc(nc3c(cnn23)-c2cnn(C)c2)C2CCCNC2)no1 Show InChI InChI=1S/C19H22N8O/c1-12-6-17(25-28-12)24-18-7-16(13-4-3-5-20-8-13)23-19-15(10-22-27(18)19)14-9-21-26(2)11-14/h6-7,9-11,13,20H,3-5,8H2,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant His-CHK1 expressed in baculovirus after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 467-70 (2010) Article DOI: 10.1016/j.bmcl.2010.10.113 BindingDB Entry DOI: 10.7270/Q2J966MH
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM105237 (US8575203, I-4 | US8580782, 5) Show SMILES Fc1ccccc1-c1cc(NCc2cccnc2)n2ncc(Cl)c2n1 Show InChI InChI=1S/C18H13ClFN5/c19-14-11-23-25-17(22-10-12-4-3-7-21-9-12)8-16(24-18(14)25)13-5-1-2-6-15(13)20/h1-9,11,22H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	8.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).				US Patent US8580782 (2013) BindingDB Entry DOI: 10.7270/Q2VM49WG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM50442676 (CHEMBL2442305) Show SMILES NCCNc1ccn2ncc(-c3ccc4cn[nH]c4c3)c2n1 Show InChI InChI=1S/C15H15N7/c16-4-5-17-14-3-6-22-15(20-14)12(9-19-22)10-1-2-11-8-18-21-13(11)7-10/h1-3,6-9H,4-5,16H2,(H,17,20)(H,18,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim2 (unknown origin) using STK1 as substrate preincubated for 30 mins followed by substrate and ATP addition after 60 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2 (Homo sapiens (Human))	BDBM105235 (US8580782, 3) Show SMILES Fc1ccccc1-c1cc(NCc2ccncc2)n2ncc(Br)c2n1 Show InChI InChI=1S/C18H13BrFN5/c19-14-11-23-25-17(22-10-12-5-7-21-8-6-12)9-16(24-18(14)25)13-3-1-2-4-15(13)20/h1-9,11,22H,10H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	24	n/a	n/a	n/a	n/a	8.0	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description CDK2 kinase assays (either cyclin A or cyclin E-dependent) were performed in low protein binding 96-well plates (Corning Inc., Corning, N.Y.).				US Patent US8580782 (2013) BindingDB Entry DOI: 10.7270/Q2VM49WG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334870 (6-bromo-3-(furan-3-yl)-5-(piperidin-3-yl)pyrazolo[...) Show SMILES Nc1c(Br)c(nc2c(cnn12)-c1ccoc1)C1CCCNC1 Show InChI InChI=1S/C15H16BrN5O/c16-12-13(9-2-1-4-18-6-9)20-15-11(10-3-5-22-8-10)7-19-21(15)14(12)17/h3,5,7-9,18H,1-2,4,6,17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50442689 (CHEMBL2442297) Show SMILES C1NCC1Nc1ccn2ncc(-c3ccc4ccccc4c3)c2n1 Show InChI InChI=1S/C19H17N5/c1-2-4-14-9-15(6-5-13(14)3-1)17-12-21-24-8-7-18(23-19(17)24)22-16-10-20-11-16/h1-9,12,16,20H,10-11H2,(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of Pim1 (unknown origin) using STK3 as substrate preincubated for 30 mins followed by substrate and ATP addition after 45 mins by HTRF ass...				Bioorg Med Chem Lett 23: 6178-82 (2013) Article DOI: 10.1016/j.bmcl.2013.08.110 BindingDB Entry DOI: 10.7270/Q2MS3V69
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334859 (2-(7-amino-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperid...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(CCO)c(nc12)C1CCCNC1 Show InChI InChI=1S/C17H23N7O/c1-23-10-12(8-20-23)14-9-21-24-16(18)13(4-6-25)15(22-17(14)24)11-3-2-5-19-7-11/h8-11,19,25H,2-7,18H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of histidine-tagged recombinant CHK1 expressed in baculovirus expression system after 2 hrs by scintillation proximity assay				Bioorg Med Chem Lett 21: 471-4 (2010) Article DOI: 10.1016/j.bmcl.2010.10.114 BindingDB Entry DOI: 10.7270/Q2P26ZC9
					More data for this Ligand-Target Pair
Coagulation factor IX (Homo sapiens (Human))	BDBM50543904 (CHEMBL4648414) Show SMILES Cc1ccc(cc1)-c1ncnc(Nc2ccc3C(=N)NCc3c2)c1O Show InChI InChI=1S/C19H17N5O/c1-11-2-4-12(5-3-11)16-17(25)19(23-10-22-16)24-14-6-7-15-13(8-14)9-21-18(15)20/h2-8,10,25H,9H2,1H3,(H2,20,21)(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co. Curated by ChEMBL					Assay Description Inhibition of activated factor IX (unknown origin) using CH3SO2-D-CHG-Gly-Arg-pNA:AcOH as substrate by fluorescence based assay				Bioorg Med Chem Lett 30: (2020) Article DOI: 10.1016/j.bmcl.2020.127279 BindingDB Entry DOI: 10.7270/Q2JH3QSW
					More data for this Ligand-Target Pair
Glycogen synthase kinase-3 beta (Homo sapiens (Human))	BDBM50223615 (3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazol...) Show SMILES Brc1cnn2c(NCc3cccnc3)cc(nc12)C1CCCCC1 Show InChI InChI=1S/C18H20BrN5/c19-15-12-22-24-17(21-11-13-5-4-8-20-10-13)9-16(23-18(15)24)14-6-2-1-3-7-14/h4-5,8-10,12,14,21H,1-3,6-7,11H2	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Schering-Plough Research Institute Curated by ChEMBL					Assay Description Inhibition of human GSK3beta				Bioorg Med Chem Lett 17: 6220-3 (2007) Article DOI: 10.1016/j.bmcl.2007.09.017 BindingDB Entry DOI: 10.7270/Q27M07ND
					More data for this Ligand-Target Pair

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