Compile Data Set for Download or QSAR

Found 189 hits with Last Name = 'poker' and Initial = 'c'   

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
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))	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 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
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 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
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))	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))	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))	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))	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 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 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 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-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))	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 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 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
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
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
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))	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 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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334911 (CHEMBL1643463 | N-(3-(1-methyl-1H-pyrazol-4-yl)-5-...) Show SMILES Cn1cc(cn1)-c1cnn2c(Nc3nccs3)cc(nc12)C1CCCNC1 Show InChI InChI=1S/C18H20N8S/c1-25-11-13(9-21-25)14-10-22-26-16(24-18-20-5-6-27-18)7-15(23-17(14)26)12-3-2-4-19-8-12/h5-7,9-12,19H,2-4,8H2,1H3,(H,20,24)	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	28	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334910 (3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-N-...) Show SMILES Cn1cc(cn1)-c1cnn2c(Nc3ccccn3)cc(nc12)C1CCCNC1 Show InChI InChI=1S/C20H22N8/c1-27-13-15(11-23-27)16-12-24-28-19(26-18-6-2-3-8-22-18)9-17(25-20(16)28)14-5-4-7-21-10-14/h2-3,6,8-9,11-14,21H,4-5,7,10H2,1H3,(H,22,26)	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	28	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334856 (6-ethyl-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-...) Show SMILES CCc1c(N)n2ncc(-c3cnn(C)c3)c2nc1C1CCCNC1 Show InChI InChI=1S/C17H23N7/c1-3-13-15(11-5-4-6-19-7-11)22-17-14(9-21-24(17)16(13)18)12-8-20-23(2)10-12/h8-11,19H,3-7,18H2,1-2H3	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	31	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))	BDBM50334877 (6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(pyrrolidin...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CCNC1 Show InChI InChI=1S/C14H16BrN7/c1-21-7-9(5-18-21)10-6-19-22-13(16)11(15)12(20-14(10)22)8-2-3-17-4-8/h5-8,17H,2-4,16H2,1H3	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	31	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))	BDBM50334878 (5-(2-aminoethyl)-6-bromo-3-(1-methyl-1H-pyrazol-4-...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(CCN)nc12 Show InChI InChI=1S/C12H14BrN7/c1-19-6-7(4-16-19)8-5-17-20-11(15)10(13)9(2-3-14)18-12(8)20/h4-6H,2-3,14-15H2,1H3	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	34	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))	BDBM50334874 (6-bromo-3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)c(Br)c(nc12)C1CCNCC1 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)9-2-4-18-5-3-9/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 Similars	Article PubMed	n/a	n/a	35	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))	BDBM50334857 (3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)-6-...) Show SMILES CC#Cc1c(N)n2ncc(-c3cnn(C)c3)c2nc1C1CCCNC1 Show InChI InChI=1S/C18H21N7/c1-3-5-14-16(12-6-4-7-20-8-12)23-18-15(10-22-25(18)17(14)19)13-9-21-24(2)11-13/h9-12,20H,4,6-8,19H2,1-2H3	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	45	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-A1/Cyclin-A2/Cyclin-dependent kinase 2 (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 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	48	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of recombinant CDK2/Cyclin A expressed in insect Sf9 cells assessed as inhibition of [33P]-ATP incorporation into biotinylated histone H1 ...				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))	BDBM50334905 (CHEMBL1643262 | ethyl 4-(3-(1-methyl-1H-pyrazol-4-...) Show SMILES CCOC(=O)c1ccc(Nc2cc(nc3c(cnn23)-c2cnn(C)c2)C2CCCNC2)cc1 Show InChI InChI=1S/C24H27N7O2/c1-3-33-24(32)16-6-8-19(9-7-16)28-22-11-21(17-5-4-10-25-12-17)29-23-20(14-27-31(22)23)18-13-26-30(2)15-18/h6-9,11,13-15,17,25,28H,3-5,10,12H2,1-2H3	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	51	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334860 (6-(3-methoxyprop-1-enyl)-3-(1-methyl-1H-pyrazol-4-...) Show SMILES COC\C=C\c1c(N)n2ncc(-c3cnn(C)c3)c2nc1C1CCCNC1 Show InChI InChI=1S/C19H25N7O/c1-25-12-14(10-22-25)16-11-23-26-18(20)15(6-4-8-27-2)17(24-19(16)26)13-5-3-7-21-9-13/h4,6,10-13,21H,3,5,7-9,20H2,1-2H3/b6-4+	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	52	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))	BDBM50334851 (3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyr...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)cc(nc12)C1CCCNC1 Show InChI InChI=1S/C15H19N7/c1-21-9-11(7-18-21)12-8-19-22-14(16)5-13(20-15(12)22)10-3-2-4-17-6-10/h5,7-10,17H,2-4,6,16H2,1H3	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	60	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
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50334851 (3-(1-methyl-1H-pyrazol-4-yl)-5-(piperidin-3-yl)pyr...) Show SMILES Cn1cc(cn1)-c1cnn2c(N)cc(nc12)C1CCCNC1 Show InChI InChI=1S/C15H19N7/c1-21-9-11(7-18-21)12-8-19-22-14(16)5-13(20-15(12)22)10-3-2-4-17-6-10/h5,7-10,17H,2-4,6,16H2,1H3	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	60	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))	BDBM50334895 (3-(isothiazol-5-yl)-5-(piperidin-3-yl)pyrazolo[1,5...) Show SMILES Nc1cc(nc2c(cnn12)-c1ccns1)C1CCCNC1 Show InChI InChI=1S/C14H16N6S/c15-13-6-11(9-2-1-4-16-7-9)19-14-10(8-17-20(13)14)12-3-5-18-21-12/h3,5-6,8-9,16H,1-2,4,7,15H2	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	70	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

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