Compile Data Set for Download or QSAR

Found 38 hits Enz. Inhib. hit(s) with all data for entry = 50032160   

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 Chk1 (Homo sapiens (Human))	BDBM50325177 (5-methyl-8-(1H-pyrrol-2-yl)-[1,2,4]triazolo[4,3-a]...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc[nH]1 Show InChI InChI=1S/C15H12N4O/c1-9-7-14-17-18-15(20)19(14)13-8-10(4-5-11(9)13)12-3-2-6-16-12/h2-8,16H,1H3,(H,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325145 (5-methyl-8-(1H-pyrazol-4-yl)-[1,2,4]triazolo[4,3-a...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cn[nH]c1 Show InChI InChI=1S/C14H11N5O/c1-8-4-13-17-18-14(20)19(13)12-5-9(2-3-11(8)12)10-6-15-16-7-10/h2-7H,1H3,(H,15,16)(H,18,20)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325161 (5-methyl-8-(4-(piperazin-1-ylmethyl)phenyl)-[1,2,4...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CN2CCNCC2)cc1 Show InChI InChI=1S/C22H23N5O/c1-15-12-21-24-25-22(28)27(21)20-13-18(6-7-19(15)20)17-4-2-16(3-5-17)14-26-10-8-23-9-11-26/h2-7,12-13,23H,8-11,14H2,1H3,(H,25,28)	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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325162 (5-methyl-8-(3-(piperazin-1-ylmethyl)phenyl)-[1,2,4...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cccc(CN2CCNCC2)c1 Show InChI InChI=1S/C22H23N5O/c1-15-11-21-24-25-22(28)27(21)20-13-18(5-6-19(15)20)17-4-2-3-16(12-17)14-26-9-7-23-8-10-26/h2-6,11-13,23H,7-10,14H2,1H3,(H,25,28)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325164 (5-methyl-8-(4-(morpholinomethyl)phenyl)-[1,2,4]tri...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CN2CCOCC2)cc1 Show InChI InChI=1S/C22H22N4O2/c1-15-12-21-23-24-22(27)26(21)20-13-18(6-7-19(15)20)17-4-2-16(3-5-17)14-25-8-10-28-11-9-25/h2-7,12-13H,8-11,14H2,1H3,(H,24,27)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325163 (5-methyl-8-(4-((4-methylpiperazin-1-yl)methyl)phen...) Show SMILES CN1CCN(Cc2ccc(cc2)-c2ccc3c(C)cc4n[nH]c(=O)n4c3c2)CC1 Show InChI InChI=1S/C23H25N5O/c1-16-13-22-24-25-23(29)28(22)21-14-19(7-8-20(16)21)18-5-3-17(4-6-18)15-27-11-9-26(2)10-12-27/h3-8,13-14H,9-12,15H2,1-2H3,(H,25,29)	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	9	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325147 (8-(furan-2-yl)-5-methyl-[1,2,4]triazolo[4,3-a]quin...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccco1 Show InChI InChI=1S/C15H11N3O2/c1-9-7-14-16-17-15(19)18(14)12-8-10(4-5-11(9)12)13-3-2-6-20-13/h2-8H,1H3,(H,17,19)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50280450 (18-hydroxy-3-methoxy-2-methyl-4-methylamino-(2R,3S...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of CHK1				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human))	BDBM50280450 (18-hydroxy-3-methoxy-2-methyl-4-methylamino-(2R,3S...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4[C@H](O)NC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O4/c1-28-25(35-3)15(29-2)12-18(36-28)31-16-10-6-4-8-13(16)19-21-22(27(34)30-26(21)33)20-14-9-5-7-11-17(14)32(28)24(20)23(19)31/h4-11,15,18,25,27,29,34H,12H2,1-3H3,(H,30,33)/t15-,18-,25-,27+,28+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of CHK2				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325150 (8-(4-(2-(diethylamino)ethoxy)phenyl)-5-methyl-[1,2...) Show SMILES CCN(CC)CCOc1ccc(cc1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1 Show InChI InChI=1S/C23H26N4O2/c1-4-26(5-2)12-13-29-19-9-6-17(7-10-19)18-8-11-20-16(3)14-22-24-25-23(28)27(22)21(20)15-18/h6-11,14-15H,4-5,12-13H2,1-3H3,(H,25,28)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325169 (8-(4-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CO)cc1 Show InChI InChI=1S/C18H15N3O2/c1-11-8-17-19-20-18(23)21(17)16-9-14(6-7-15(11)16)13-4-2-12(10-22)3-5-13/h2-9,22H,10H2,1H3,(H,20,23)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325171 (5-METHYL-8-PYRIDIN-4-YL[1,2,4]TRIAZOLO[4,3-A]QUINO...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccncc1 Show InChI InChI=1S/C16H12N4O/c1-10-8-15-18-19-16(21)20(15)14-9-12(2-3-13(10)14)11-4-6-17-7-5-11/h2-9H,1H3,(H,19,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325158 (CHEMBL1223317 | N-ethyl-4-(5-methyl-1-oxo-1,2-dihy...) Show SMILES CCNC(=O)c1ccc(cc1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1 Show InChI InChI=1S/C20H18N4O2/c1-3-21-19(25)14-6-4-13(5-7-14)15-8-9-16-12(2)10-18-22-23-20(26)24(18)17(16)11-15/h4-11H,3H2,1-2H3,(H,21,25)(H,23,26)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325175 (5-methyl-8-(thiophen-2-yl)-[1,2,4]triazolo[4,3-a]q...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cccs1 Show InChI InChI=1S/C15H11N3OS/c1-9-7-14-16-17-15(19)18(14)12-8-10(4-5-11(9)12)13-3-2-6-20-13/h2-8H,1H3,(H,17,19)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325144 (5-methyl-8-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cc[nH]c1 Show InChI InChI=1S/C15H12N4O/c1-9-6-14-17-18-15(20)19(14)13-7-10(2-3-12(9)13)11-4-5-16-8-11/h2-8,16H,1H3,(H,18,20)	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
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325151 (5-methyl-8-(4-(2-morpholinoethoxy)phenyl)-[1,2,4]t...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(OCCN2CCOCC2)cc1 Show InChI InChI=1S/C23H24N4O3/c1-16-14-22-24-25-23(28)27(22)21-15-18(4-7-20(16)21)17-2-5-19(6-3-17)30-13-10-26-8-11-29-12-9-26/h2-7,14-15H,8-13H2,1H3,(H,25,28)	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	30	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325165 (5-methyl-8-(4-((methylamino)methyl)phenyl)-[1,2,4]...) Show SMILES CNCc1ccc(cc1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1 Show InChI InChI=1S/C19H18N4O/c1-12-9-18-21-22-19(24)23(18)17-10-15(7-8-16(12)17)14-5-3-13(4-6-14)11-20-2/h3-10,20H,11H2,1-2H3,(H,22,24)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325155 (4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(cc1)C(N)=O Show InChI InChI=1S/C18H14N4O2/c1-10-8-16-20-21-18(24)22(16)15-9-13(6-7-14(10)15)11-2-4-12(5-3-11)17(19)23/h2-9H,1H3,(H2,19,23)(H,21,24)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325168 (8-(3-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cccc(CO)c1 Show InChI InChI=1S/C18H15N3O2/c1-11-7-17-19-20-18(23)21(17)16-9-14(5-6-15(11)16)13-4-2-3-12(8-13)10-22/h2-9,22H,10H2,1H3,(H,20,23)	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	40	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325156 (8-(4-hydroxy-3-methylphenyl)-5-methyl-[1,2,4]triaz...) Show SMILES Cc1cc(ccc1O)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1 Show InChI InChI=1S/C18H15N3O2/c1-10-8-17-19-20-18(23)21(17)15-9-13(3-5-14(10)15)12-4-6-16(22)11(2)7-12/h3-9,22H,1-2H3,(H,20,23)	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	50	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325176 (5-methyl-8-(4-methylthiophen-2-yl)-[1,2,4]triazolo...) Show SMILES Cc1csc(c1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1 Show InChI InChI=1S/C16H13N3OS/c1-9-5-14(21-8-9)11-3-4-12-10(2)6-15-17-18-16(20)19(15)13(12)7-11/h3-8H,1-2H3,(H,18,20)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325154 (5-methyl-8-(4-(morpholine-4-carbonyl)phenyl)-[1,2,...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C22H20N4O3/c1-14-12-20-23-24-22(28)26(20)19-13-17(6-7-18(14)19)15-2-4-16(5-3-15)21(27)25-8-10-29-11-9-25/h2-7,12-13H,8-11H2,1H3,(H,24,28)	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	60	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325152 (5-methyl-8-(4-(methylsulfinyl)phenyl)-[1,2,4]triaz...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(cc1)S(C)=O Show InChI InChI=1S/C18H15N3O2S/c1-11-9-17-19-20-18(22)21(17)16-10-13(5-8-15(11)16)12-3-6-14(7-4-12)24(2)23/h3-10H,1-2H3,(H,20,22)	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	90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325159 (4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4,3-...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(cc1)C#N Show InChI InChI=1S/C18H12N4O/c1-11-8-17-20-21-18(23)22(17)16-9-14(6-7-15(11)16)13-4-2-12(10-19)3-5-13/h2-9H,1H3,(H,21,23)	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	100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50026043 (CHEMBL1223166) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(O)cc1 Show InChI InChI=1S/C17H13N3O2/c1-10-8-16-18-19-17(22)20(16)15-9-12(4-7-14(10)15)11-2-5-13(21)6-3-11/h2-9,21H,1H3,(H,19,22)	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	<100	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325172 (5-methyl-8-(pyridin-3-yl)-[1,2,4]triazolo[4,3-a]qu...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cccnc1 Show InChI InChI=1S/C16H12N4O/c1-10-7-15-18-19-16(21)20(15)14-8-11(4-5-13(10)14)12-3-2-6-17-9-12/h2-9H,1H3,(H,19,21)	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	120	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325146 (8-(1H-imidazol-4-yl)-5-methyl-[1,2,4]triazolo[4,3-...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1c[nH]cn1 Show InChI InChI=1S/C14H11N5O/c1-8-4-13-17-18-14(20)19(13)12-5-9(2-3-10(8)12)11-6-15-7-16-11/h2-7H,1H3,(H,15,16)(H,18,20)	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	160	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325143 (8-(3-hydroxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-a...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cccc(O)c1 Show InChI InChI=1S/C17H13N3O2/c1-10-7-16-18-19-17(22)20(16)15-9-12(5-6-14(10)15)11-3-2-4-13(21)8-11/h2-9,21H,1H3,(H,19,22)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325166 (2-(4-(5-methyl-1-oxo-1,2-dihydro-[1,2,4]triazolo[4...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccc(CC#N)cc1 Show InChI InChI=1S/C19H14N4O/c1-12-10-18-21-22-19(24)23(18)17-11-15(6-7-16(12)17)14-4-2-13(3-5-14)8-9-20/h2-7,10-11H,8H2,1H3,(H,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325157 (CHEMBL1223248 | N-(4-(5-methyl-1-oxo-1,2-dihydro-[...) Show SMILES CC(=O)Nc1ccc(cc1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1 Show InChI InChI=1S/C19H16N4O2/c1-11-9-18-21-22-19(25)23(18)17-10-14(5-8-16(11)17)13-3-6-15(7-4-13)20-12(2)24/h3-10H,1-2H3,(H,20,24)(H,22,25)	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	210	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325149 (8-(4-methoxyphenyl)-5-methyl-[1,2,4]triazolo[4,3-a...) Show SMILES COc1ccc(cc1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1 Show InChI InChI=1S/C18H15N3O2/c1-11-9-17-19-20-18(22)21(17)16-10-13(5-8-15(11)16)12-3-6-14(23-2)7-4-12/h3-10H,1-2H3,(H,20,22)	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	520	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325170 (8-(2-(hydroxymethyl)phenyl)-5-methyl-[1,2,4]triazo...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccccc1CO Show InChI InChI=1S/C18H15N3O2/c1-11-8-17-19-20-18(23)21(17)16-9-12(6-7-14(11)16)15-5-3-2-4-13(15)10-22/h2-9,22H,10H2,1H3,(H,20,23)	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	690	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325173 (5-methyl-8-(pyrazin-2-yl)-[1,2,4]triazolo[4,3-a]qu...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1cnccn1 Show InChI InChI=1S/C15H11N5O/c1-9-6-14-18-19-15(21)20(14)13-7-10(2-3-11(9)13)12-8-16-4-5-17-12/h2-8H,1H3,(H,19,21)	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325153 (CHEMBL1223245 | N-methyl-4-(5-methyl-1-oxo-1,2-dih...) Show SMILES CNC(=O)c1ccc(cc1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1 Show InChI InChI=1S/C19H16N4O2/c1-11-9-17-21-22-19(25)23(17)16-10-14(7-8-15(11)16)12-3-5-13(6-4-12)18(24)20-2/h3-10H,1-2H3,(H,20,24)(H,22,25)	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	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325148 (8-(furan-3-yl)-5-methyl-[1,2,4]triazolo[4,3-a]quin...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccoc1 Show InChI InChI=1S/C15H11N3O2/c1-9-6-14-16-17-15(19)18(14)13-7-10(2-3-12(9)13)11-4-5-20-8-11/h2-8H,1H3,(H,17,19)	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	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325174 (5-methyl-8-(thiazol-2-yl)-[1,2,4]triazolo[4,3-a]qu...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1nccs1 Show InChI InChI=1S/C14H10N4OS/c1-8-6-12-16-17-14(19)18(12)11-7-9(2-3-10(8)11)13-15-4-5-20-13/h2-7H,1H3,(H,17,19)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.96E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325167 (8-(4-(methoxymethyl)phenyl)-5-methyl-[1,2,4]triazo...) Show SMILES COCc1ccc(cc1)-c1ccc2c(C)cc3n[nH]c(=O)n3c2c1 Show InChI InChI=1S/C19H17N3O2/c1-12-9-18-20-21-19(23)22(18)17-10-15(7-8-16(12)17)14-5-3-13(4-6-14)11-24-2/h3-10H,11H2,1-2H3,(H,21,23)	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	3.49E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50325160 (8-(2-aminophenyl)-5-methyl-[1,2,4]triazolo[4,3-a]q...) Show SMILES Cc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccccc1N Show InChI InChI=1S/C17H14N4O/c1-10-8-16-19-20-17(22)21(16)15-9-11(6-7-12(10)15)13-4-2-3-5-14(13)18/h2-9H,18H2,1H3,(H,20,22)	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	2.44E+4	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of His6-CHK1 expressed in baculovirus infected Sf9 cells				Bioorg Med Chem Lett 20: 5133-8 (2010) Article DOI: 10.1016/j.bmcl.2010.07.015 BindingDB Entry DOI: 10.7270/Q2FF3SJZ
					More data for this Ligand-Target Pair				3D Structure (docked)