Compile Data Set for Download or QSAR

Found 55 hits Enz. Inhib. hit(s) with all data for entry = 50038040   

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))	BDBM50221567 (4-(5-(6,7-dimethoxy-2,4-dihydroindeno[1,2-c]pyrazo...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(nc1)-c1ccc(O)cc1 Show InChI InChI=1S/C23H19N3O3/c1-28-20-10-15-9-18-22(25-26-23(18)17(15)11-21(20)29-2)14-5-8-19(24-12-14)13-3-6-16(27)7-4-13/h3-8,10-12,27H,9H2,1-2H3,(H,25,26)	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50220753 (5-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol-...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(nc1)C#N Show InChI InChI=1S/C18H14N4O2/c1-23-15-6-11-5-14-17(10-3-4-12(8-19)20-9-10)21-22-18(14)13(11)7-16(15)24-2/h3-4,6-7,9H,5H2,1-2H3,(H,21,22)	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	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221587 (4-[7-methoxy-6-(tetrahydro-pyran-4-yloxy)-2,4-dihy...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OC1CCOCC1 Show InChI InChI=1S/C23H21N3O3/c1-27-20-12-18-16(11-21(20)29-17-6-8-28-9-7-17)10-19-22(25-26-23(18)19)15-4-2-14(13-24)3-5-15/h2-5,11-12,17H,6-10H2,1H3,(H,25,26)	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	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221575 (4-(6-hydroxy-7-methoxy-2,4-dihydro-indeno[1,2-c]py...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1O Show InChI InChI=1S/C18H13N3O2/c1-23-16-8-13-12(7-15(16)22)6-14-17(20-21-18(13)14)11-4-2-10(9-19)3-5-11/h2-5,7-8,22H,6H2,1H3,(H,20,21)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221574 (3-(6-fluoro-pyridin-3-yl)-6,7-dimethoxy-2,4-dihydr...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(F)nc1 Show InChI InChI=1S/C17H14FN3O2/c1-22-13-6-10-5-12-16(9-3-4-15(18)19-8-9)20-21-17(12)11(10)7-14(13)23-2/h3-4,6-8H,5H2,1-2H3,(H,20,21)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221584 (4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)C(O)=O Show InChI InChI=1S/C19H16N2O4/c1-24-15-8-12-7-14-17(10-3-5-11(6-4-10)19(22)23)20-21-18(14)13(12)9-16(15)25-2/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221592 (4-[7-methoxy-6-(tetrahydro-furan-3-yloxy)-2,4-dihy...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OC1CCOC1 Show InChI InChI=1S/C22H19N3O3/c1-26-19-10-17-15(9-20(19)28-16-6-7-27-12-16)8-18-21(24-25-22(17)18)14-4-2-13(11-23)3-5-14/h2-5,9-10,16H,6-8,12H2,1H3,(H,24,25)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50214577 (4'-(6,7-dimethoxy-1,4-dihydro-indeno[1,2-c]pyrazol...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc(O)cc1 Show InChI InChI=1S/C24H20N2O3/c1-28-21-12-17-11-20-23(25-26-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(27)10-8-15/h3-10,12-13,27H,11H2,1-2H3,(H,25,26)	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	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221571 (4-(6-imidazol-1-ylmethyl-7-methoxy-2,4-dihydro-ind...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1Cn1ccnc1 Show InChI InChI=1S/C22H17N5O/c1-28-20-10-18-16(8-17(20)12-27-7-6-24-13-27)9-19-21(25-26-22(18)19)15-4-2-14(11-23)3-5-15/h2-8,10,13H,9,12H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221613 (3-(4-cyano-phenyl)-7-methoxy-2,4-dihydro-indeno[1,...) Show SMILES COc1cc-2c(Cc3c-2[nH]nc3-c2ccc(cc2)C#N)cc1C(=O)N[C@H]1CC[C@H](O)CC1 |wU:25.28,wD:28.32,(7.28,-42.32,;8.61,-41.55,;9.94,-42.32,;11.28,-41.55,;12.6,-42.31,;12.6,-43.85,;14.07,-44.32,;14.97,-43.09,;14.07,-41.84,;14.98,-40.59,;16.45,-41.08,;16.44,-42.62,;17.71,-43.53,;17.54,-45.08,;18.81,-45.99,;20.23,-45.35,;20.39,-43.79,;19.12,-42.88,;21.49,-46.24,;22.73,-47.14,;11.28,-44.62,;9.94,-43.85,;8.61,-44.62,;7.28,-43.85,;8.61,-46.16,;7.28,-46.93,;7.29,-48.47,;5.95,-49.23,;4.62,-48.46,;3.28,-49.22,;4.62,-46.92,;5.95,-46.16,)| Show InChI InChI=1S/C25H24N4O3/c1-32-22-12-19-16(10-20(22)25(31)27-17-6-8-18(30)9-7-17)11-21-23(28-29-24(19)21)15-4-2-14(13-26)3-5-15/h2-5,10,12,17-18,30H,6-9,11H2,1H3,(H,27,31)(H,28,29)/t17-,18-	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	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221570 (4-[7-methoxy-6-(3-morpholin-4-yl-propoxy)-2,4-dihy...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OCCCN1CCOCC1 Show InChI InChI=1S/C25H26N4O3/c1-30-22-15-20-19(14-23(22)32-10-2-7-29-8-11-31-12-9-29)13-21-24(27-28-25(20)21)18-5-3-17(16-26)4-6-18/h3-6,14-15H,2,7-13H2,1H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221591 (4-[6-(2-hydroxy-1-hydroxymethyl-ethoxy)-7-methoxy-...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OC(CO)CO Show InChI InChI=1S/C21H19N3O4/c1-27-18-8-16-14(7-19(18)28-15(10-25)11-26)6-17-20(23-24-21(16)17)13-4-2-12(9-22)3-5-13/h2-5,7-8,15,25-26H,6,10-11H2,1H3,(H,23,24)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221569 (4-[7-methoxy-6-(tetrahydro-furan-3-ylmethoxy)-2,4-...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OCC1CCOC1 Show InChI InChI=1S/C23H21N3O3/c1-27-20-10-18-17(9-21(20)29-13-15-6-7-28-12-15)8-19-22(25-26-23(18)19)16-4-2-14(11-24)3-5-16/h2-5,9-10,15H,6-8,12-13H2,1H3,(H,25,26)	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	3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221609 (3-(6-chloro-pyridin-3-yl)-6,7-dimethoxy-2,4-dihydr...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(Cl)nc1 Show InChI InChI=1S/C17H14ClN3O2/c1-22-13-6-10-5-12-16(9-3-4-15(18)19-8-9)20-21-17(12)11(10)7-14(13)23-2/h3-4,6-8H,5H2,1-2H3,(H,20,21)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221582 (4-[6-(3-dimethylamino-propoxy)-7-methoxy-2,4-dihyd...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OCCCN(C)C Show InChI InChI=1S/C23H24N4O2/c1-27(2)9-4-10-29-21-12-17-11-19-22(16-7-5-15(14-24)6-8-16)25-26-23(19)18(17)13-20(21)28-3/h5-8,12-13H,4,9-11H2,1-3H3,(H,25,26)	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	4	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221589 (4-((6,7-dimethoxy-1,4-dihydroindeno[1,2-c]pyrazol-...) Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(O)c(OC)c3)-c2cc1OC Show InChI InChI=1S/C21H18N2O4/c1-25-18-8-12(5-7-17(18)24)4-6-16-15-9-13-10-19(26-2)20(27-3)11-14(13)21(15)23-22-16/h5,7-8,10-11,24H,9H2,1-3H3,(H,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221606 (3-(4-cyano-phenyl)-2,4-dihydro-indeno[1,2-c]pyrazo...) Show SMILES O[C@H]1CC[C@@H](CC1)NC(=O)c1ccc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)c1 |wU:4.7,wD:1.0,(5.03,-47.3,;6.37,-46.54,;7.7,-47.31,;9.04,-46.55,;9.02,-45.01,;7.7,-44.24,;6.37,-45,;10.36,-44.24,;10.36,-42.7,;9.02,-41.94,;11.69,-41.93,;11.69,-40.4,;13.02,-39.63,;14.35,-40.39,;14.35,-41.93,;15.82,-42.4,;16.72,-41.17,;18.19,-40.7,;18.2,-39.16,;16.73,-38.67,;15.82,-39.92,;19.46,-41.61,;19.29,-43.16,;20.56,-44.07,;21.98,-43.43,;22.14,-41.87,;20.87,-40.96,;23.23,-44.32,;24.48,-45.22,;13.03,-42.7,)| Show InChI InChI=1S/C24H22N4O2/c25-13-14-1-3-15(4-2-14)22-21-12-17-11-16(5-10-20(17)23(21)28-27-22)24(30)26-18-6-8-19(29)9-7-18/h1-5,10-11,18-19,29H,6-9,12H2,(H,26,30)(H,27,28)/t18-,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	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221577 (4-[6-((R)-2,3-dihydroxy-propoxy)-7-methoxy-2,4-dih...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OC[C@H](O)CO Show InChI InChI=1S/C21H19N3O4/c1-27-18-8-16-14(7-19(18)28-11-15(26)10-25)6-17-20(23-24-21(16)17)13-4-2-12(9-22)3-5-13/h2-5,7-8,15,25-26H,6,10-11H2,1H3,(H,23,24)/t15-/m1/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	6	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221593 (4'-(1,4-dihydro-indeno[1,2-c]pyrazol-3-yl)-benzoni...) Show SMILES COc1cc2Cc3c([nH]nc3-c3ccc(cc3)C#N)-c2cc1OC Show InChI InChI=1S/C19H15N3O2/c1-23-16-8-13-7-15-18(12-5-3-11(10-20)4-6-12)21-22-19(15)14(13)9-17(16)24-2/h3-6,8-9H,7H2,1-2H3,(H,21,22)	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221599 (4-{7-methoxy-6-[2-(5-methyl-thiazol-4-yl)-ethoxy]-...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OCCc1ncsc1C Show InChI InChI=1S/C24H20N4O2S/c1-14-20(26-13-31-14)7-8-30-22-10-17-9-19-23(16-5-3-15(12-25)4-6-16)27-28-24(19)18(17)11-21(22)29-2/h3-6,10-11,13H,7-9H2,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221595 (4-[7-methoxy-6-(pyridin-2-ylmethoxy)-2,4-dihydro-i...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OCc1ccccn1 Show InChI InChI=1S/C24H18N4O2/c1-29-21-12-19-17(11-22(21)30-14-18-4-2-3-9-26-18)10-20-23(27-28-24(19)20)16-7-5-15(13-25)6-8-16/h2-9,11-12H,10,14H2,1H3,(H,27,28)	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	10	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221585 (3-(4-(1H-tetrazol-5-yl)phenyl)-6,7-dimethoxy-1,4-d...) Show SMILES COc1cc2Cc3c([nH]nc3-c3ccc(cc3)-c3nnn[nH]3)-c2cc1OC Show InChI InChI=1S/C19H16N6O2/c1-26-15-8-12-7-14-17(20-21-18(14)13(12)9-16(15)27-2)10-3-5-11(6-4-10)19-22-24-25-23-19/h3-6,8-9H,7H2,1-2H3,(H,20,21)(H,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221598 (4-[7-methoxy-6-(pyridin-3-ylmethoxy)-2,4-dihydro-i...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OCc1cccnc1 Show InChI InChI=1S/C24H18N4O2/c1-29-21-11-19-18(10-22(21)30-14-16-3-2-8-26-13-16)9-20-23(27-28-24(19)20)17-6-4-15(12-25)5-7-17/h2-8,10-11,13H,9,14H2,1H3,(H,27,28)	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	14	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221580 (6,7-dimethoxy-3-pyridin-3-yl-2,4-dihydro-indeno[1,...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1cccnc1 Show InChI InChI=1S/C17H15N3O2/c1-21-14-7-11-6-13-16(10-4-3-5-18-9-10)19-20-17(13)12(11)8-15(14)22-2/h3-5,7-9H,6H2,1-2H3,(H,19,20)	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	15	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221614 (3-(5,6-dichloro-pyridin-3-yl)-6,7-dimethoxy-2,4-di...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1cnc(Cl)c(Cl)c1 Show InChI InChI=1S/C17H13Cl2N3O2/c1-23-13-5-8-3-11-15(9-4-12(18)17(19)20-7-9)21-22-16(11)10(8)6-14(13)24-2/h4-7H,3H2,1-2H3,(H,21,22)	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	16	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221581 (4-{6-[(4-hydroxy-cyclohexylamino)-methyl]-7-methox...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1CN[C@H]1CC[C@H](O)CC1 |wU:24.27,wD:27.31,(27.98,-42.37,;29.31,-41.61,;30.64,-42.38,;31.98,-41.61,;33.31,-42.37,;33.31,-43.91,;34.77,-44.38,;35.67,-43.15,;37.14,-42.68,;37.15,-41.14,;35.68,-40.65,;34.77,-41.9,;38.41,-43.59,;38.25,-45.14,;39.51,-46.05,;40.94,-45.41,;41.09,-43.85,;39.82,-42.94,;42.19,-46.3,;43.44,-47.2,;31.98,-44.68,;30.64,-43.91,;29.31,-44.68,;29.31,-46.22,;27.98,-46.99,;27.99,-48.52,;26.65,-49.29,;25.32,-48.52,;23.99,-49.28,;25.33,-46.98,;26.66,-46.22,)| Show InChI InChI=1S/C25H26N4O2/c1-31-23-12-21-17(10-18(23)14-27-19-6-8-20(30)9-7-19)11-22-24(28-29-25(21)22)16-4-2-15(13-26)3-5-16/h2-5,10,12,19-20,27,30H,6-9,11,14H2,1H3,(H,28,29)/t19-,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	17	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221583 (4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...) Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(O)cc3)-c2cc1OC Show InChI InChI=1S/C20H16N2O3/c1-24-18-10-13-9-16-17(8-5-12-3-6-14(23)7-4-12)21-22-20(16)15(13)11-19(18)25-2/h3-4,6-7,10-11,23H,9H2,1-2H3,(H,21,22)	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	19	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221620 (4-[7-methoxy-6-(pyridin-4-ylmethoxy)-2,4-dihydro-i...) Show SMILES COc1cc-2c(Cc3c(n[nH]c-23)-c2ccc(cc2)C#N)cc1OCc1ccncc1 Show InChI InChI=1S/C24H18N4O2/c1-29-21-12-19-18(11-22(21)30-14-16-6-8-26-9-7-16)10-20-23(27-28-24(19)20)17-4-2-15(13-25)3-5-17/h2-9,11-12H,10,14H2,1H3,(H,27,28)	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	20	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221607 (4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(O)cc1 Show InChI InChI=1S/C18H16N2O3/c1-22-15-8-11-7-14-17(10-3-5-12(21)6-4-10)19-20-18(14)13(11)9-16(15)23-2/h3-6,8-9,21H,7H2,1-2H3,(H,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB 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
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221568 (CHEMBL247237 | [4-(6,7-dimethoxy-2,4-dihydro-inden...) Show SMILES COc1cc2Cc3c([nH]nc3-c3ccc(CO)cc3)-c2cc1OC Show InChI InChI=1S/C19H18N2O3/c1-23-16-8-13-7-15-18(12-5-3-11(10-22)4-6-12)20-21-19(15)14(13)9-17(16)24-2/h3-6,8-9,22H,7,10H2,1-2H3,(H,20,21)	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	25	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221576 (6,7-dimethoxy-3-pyrimidin-5-yl-2,4-dihydro-indeno[...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1cncnc1 Show InChI InChI=1S/C16H14N4O2/c1-21-13-4-9-3-12-15(10-6-17-8-18-7-10)19-20-16(12)11(9)5-14(13)22-2/h4-8H,3H2,1-2H3,(H,19,20)	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	44	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221602 (6-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cn1)C#N Show InChI InChI=1S/C18H14N4O2/c1-23-15-6-11-5-13-17(12(11)7-16(15)24-2)21-22-18(13)14-4-3-10(8-19)9-20-14/h3-4,6-7,9H,5H2,1-2H3,(H,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221586 (6,7-dimethoxy-3-[4-(1H-pyrazol-4-yl)-phenyl]-2,4-d...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1cn[nH]c1 Show InChI InChI=1S/C21H18N4O2/c1-26-18-8-14-7-17-20(24-25-21(17)16(14)9-19(18)27-2)13-5-3-12(4-6-13)15-10-22-23-11-15/h3-6,8-11H,7H2,1-2H3,(H,22,23)(H,24,25)	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	47	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221579 (3-(4-bromo-phenyl)-6,7-dimethoxy-2,4-dihydro-inden...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(Br)cc1 Show InChI InChI=1S/C18H15BrN2O2/c1-22-15-8-11-7-14-17(10-3-5-12(19)6-4-10)20-21-18(14)13(11)9-16(15)23-2/h3-6,8-9H,7H2,1-2H3,(H,20,21)	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	73	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221597 (4-{6-[2-(5-ethyl-pyridin-2-yl)-ethoxy]-7-methoxy-2...) Show SMILES CCc1ccc(CCOc2cc3Cc4c(n[nH]c4-c3cc2OC)-c2ccc(cc2)C#N)nc1 Show InChI InChI=1S/C27H24N4O2/c1-3-17-6-9-21(29-16-17)10-11-33-25-13-20-12-23-26(19-7-4-18(15-28)5-8-19)30-31-27(23)22(20)14-24(25)32-2/h4-9,13-14,16H,3,10-12H2,1-2H3,(H,30,31)	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	77	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221588 (6,7-dimethoxy-3-[4-(1H-pyrrol-2-yl)-phenyl]-2,4-di...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc[nH]1 Show InChI InChI=1S/C22H19N3O2/c1-26-19-11-15-10-17-21(24-25-22(17)16(15)12-20(19)27-2)14-7-5-13(6-8-14)18-4-3-9-23-18/h3-9,11-12,23H,10H2,1-2H3,(H,24,25)	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	77	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221572 (6,7-dimethoxy-3-pyrazin-2-yl-2,4-dihydro-indeno[1,...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1cnccn1 Show InChI InChI=1S/C16H14N4O2/c1-21-13-6-9-5-11-15(10(9)7-14(13)22-2)19-20-16(11)12-8-17-3-4-18-12/h3-4,6-8H,5H2,1-2H3,(H,19,20)	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	89	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221616 (3-(6-bromo-pyridin-3-yl)-6,7-dimethoxy-2,4-dihydro...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(Br)nc1 Show InChI InChI=1S/C17H14BrN3O2/c1-22-13-6-10-5-12-16(9-3-4-15(18)19-8-9)20-21-17(12)11(10)7-14(13)23-2/h3-4,6-8H,5H2,1-2H3,(H,20,21)	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	288	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221617 (6,7-dimethoxy-3-(6-trifluoromethyl-pyridin-3-yl)-2...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(nc1)C(F)(F)F Show InChI InChI=1S/C18H14F3N3O2/c1-25-13-6-10-5-12-16(9-3-4-15(22-8-9)18(19,20)21)23-24-17(12)11(10)7-14(13)26-2/h3-4,6-8H,5H2,1-2H3,(H,23,24)	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	288	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221590 (4'-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc(N)cc1 Show InChI InChI=1S/C24H21N3O2/c1-28-21-12-17-11-20-23(26-27-24(20)19(17)13-22(21)29-2)16-5-3-14(4-6-16)15-7-9-18(25)10-8-15/h3-10,12-13H,11,25H2,1-2H3,(H,26,27)	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	355	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221608 (4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...) Show SMILES COc1cc2Cc3c([nH]nc3-c3ccc(CN)cc3)-c2cc1OC Show InChI InChI=1S/C19H19N3O2/c1-23-16-8-13-7-15-18(12-5-3-11(10-20)4-6-12)21-22-19(15)14(13)9-17(16)24-2/h3-6,8-9H,7,10,20H2,1-2H3,(H,21,22)	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	779	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221605 (3-[4-(1H-imidazol-4-yl)-phenyl]-6,7-dimethoxy-2,4-...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1c[nH]cn1 Show InChI InChI=1S/C21H18N4O2/c1-26-18-8-14-7-16-20(24-25-21(16)15(14)9-19(18)27-2)13-5-3-12(4-6-13)17-10-22-11-23-17/h3-6,8-11H,7H2,1-2H3,(H,22,23)(H,24,25)	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	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221618 (CHEMBL398912 | [4-(6,7-dimethoxy-2,4-dihydro-inden...) Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(Nc4ccncc4)cc3)-c2cc1OC Show InChI InChI=1S/C23H20N4O2/c1-28-20-12-15-11-19-22(26-27-23(19)18(15)13-21(20)29-2)14-3-5-16(6-4-14)25-17-7-9-24-10-8-17/h3-10,12-13H,11H2,1-2H3,(H,24,25)(H,26,27)	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	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221619 (6,7-dimethoxy-3-[4-(1-methyl-3H-imidazol-4-yl)-phe...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1cn(C)cn1 Show InChI InChI=1S/C22H20N4O2/c1-26-11-18(23-12-26)13-4-6-14(7-5-13)21-17-8-15-9-19(27-2)20(28-3)10-16(15)22(17)25-24-21/h4-7,9-12H,8H2,1-3H3,(H,24,25)	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	1.37E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221603 (4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyrazol-...) Show SMILES COc1cc2Cc3c(n[nH]c3C#Cc3ccc(NC(N)=O)cc3)-c2cc1OC Show InChI InChI=1S/C21H18N4O3/c1-27-18-10-13-9-16-17(24-25-20(16)15(13)11-19(18)28-2)8-5-12-3-6-14(7-4-12)23-21(22)26/h3-4,6-7,10-11H,9H2,1-2H3,(H,24,25)(H3,22,23,26)	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	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221596 (5-[4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyraz...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1ccc(o1)C(O)=O Show InChI InChI=1S/C23H18N2O5/c1-28-19-10-14-9-16-21(24-25-22(16)15(14)11-20(19)29-2)13-5-3-12(4-6-13)17-7-8-18(30-17)23(26)27/h3-8,10-11H,9H2,1-2H3,(H,24,25)(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221601 (6,7-dimethoxy-3-[4-(3-methyl-3H-imidazol-4-yl)-phe...) Show SMILES COc1cc2Cc3c(n[nH]c3-c2cc1OC)-c1ccc(cc1)-c1cncn1C Show InChI InChI=1S/C22H20N4O2/c1-26-12-23-11-18(26)13-4-6-14(7-5-13)21-17-8-15-9-19(27-2)20(28-3)10-16(15)22(17)25-24-21/h4-7,9-12H,8H2,1-3H3,(H,24,25)	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	3.71E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221604 (1-[4-(6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]pyraz...) Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)N3CCC(O)CC3)-c2cc1OC Show InChI InChI=1S/C23H25N3O3/c1-28-20-12-15-11-19-22(24-25-23(19)18(15)13-21(20)29-2)14-3-5-16(6-4-14)26-9-7-17(27)8-10-26/h3-6,12-13,17,27H,7-11H2,1-2H3,(H,24,25)	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	4.58E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221612 (3-ethynyl-6,7-dimethoxy-2,4-dihydro-indeno[1,2-c]p...) Show SMILES COc1cc2Cc3c(n[nH]c3C#C)-c2cc1OC Show InChI InChI=1S/C14H12N2O2/c1-4-11-10-5-8-6-12(17-2)13(18-3)7-9(8)14(10)16-15-11/h1,6-7H,5H2,2-3H3,(H,15,16)	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	5.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50221573 (6,7-dimethoxy-3-(4-morpholin-4-yl-phenyl)-2,4-dihy...) Show SMILES COc1cc2Cc3c(n[nH]c3-c3ccc(cc3)N3CCOCC3)-c2cc1OC Show InChI InChI=1S/C22H23N3O3/c1-26-19-12-15-11-18-21(23-24-22(18)17(15)13-20(19)27-2)14-3-5-16(6-4-14)25-7-9-28-10-8-25/h3-6,12-13H,7-11H2,1-2H3,(H,23,24)	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	6.22E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 17: 5944-51 (2007) Article DOI: 10.1016/j.bmcl.2007.07.102 BindingDB Entry DOI: 10.7270/Q2B56KKC
					More data for this Ligand-Target Pair

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