Compile Data Set for Download or QSAR

Found 538 hits with Last Name = 'toader' and Initial = 'd'   

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 Chk1				Bioorg Med Chem Lett 22: 2330-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.043 BindingDB Entry DOI: 10.7270/Q2GM88B0
					More data for this Ligand-Target Pair				3D Structure (crystal)
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)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288372 (CHEMBL4173429) Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCNCC2)nc1Nc1cccc(CO)c1 Show InChI InChI=1S/C23H28N6O3S/c1-16-14-25-23(28-22(16)26-18-5-3-4-17(10-18)15-30)27-19-11-20(29-8-6-24-7-9-29)13-21(12-19)33(2,31)32/h3-5,10-14,24,30H,6-9,15H2,1-2H3,(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288378 (CHEMBL4162065) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Br)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C23H27BrN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description GRAC: human IMPase 1 inhibitor				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50288437 (CHEMBL4165758) Show SMILES Cc1cnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)nc1Nc1cccc(CO)c1 Show InChI InChI=1S/C26H32N6O3/c1-19-17-27-26(30-25(19)28-21-4-2-3-20(13-21)18-33)29-22-14-23(31-5-9-34-10-6-31)16-24(15-22)32-7-11-35-12-8-32/h2-4,13-17,33H,5-12,18H2,1H3,(H2,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
AstraZeneca Curated by ChEMBL					Assay Description GRAC: human PDE2A selective inhibitor				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288438 (CHEMBL4173676) Show SMILES CN1CCN(CC1)c1cc(Nc2nccc(Nc3ccc(F)c(Cl)c3F)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C22H23ClF2N6O2S/c1-30-7-9-31(10-8-30)15-11-14(12-16(13-15)34(2,32)33)27-22-26-6-5-19(29-22)28-18-4-3-17(24)20(23)21(18)25/h3-6,11-13H,7-10H2,1-2H3,(H2,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243148 (1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(thiophen-2-y...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccs1 |r| Show InChI InChI=1S/C15H18N4O2S2/c16-15(21)19-14-10(7-12(23-14)11-4-2-6-22-11)13(20)18-9-3-1-5-17-8-9/h2,4,6-7,9,17H,1,3,5,8H2,(H,18,20)(H3,16,19,21)/t9-/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	3	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288439 (CHEMBL4163817) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(Cl)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C23H27ClN6O3S/c1-29-6-8-30(9-7-29)19-11-18(12-20(13-19)34(2,32)33)27-23-25-14-21(24)22(28-23)26-17-5-3-4-16(10-17)15-31/h3-5,10-14,31H,6-9,15H2,1-2H3,(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288443 (CHEMBL4166989) Show SMILES [H][C@]12CN(c3cc(Nc4ncc(C)c(Nc5cccc(CO)c5)n4)cc(c3)S(C)(=O)=O)[C@]([H])(CN1C)C2 |r| Show InChI InChI=1S/C25H30N6O3S/c1-16-12-26-25(29-24(16)27-18-6-4-5-17(7-18)15-32)28-19-8-20(11-23(9-19)35(3,33)34)31-14-21-10-22(31)13-30(21)2/h4-9,11-12,21-22,32H,10,13-15H2,1-3H3,(H2,26,27,28,29)/t21-,22-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50379546 (CHEMBL2012879) Show SMILES COCc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1 Show InChI InChI=1S/C16H13N3O2S/c1-21-8-12-7-15-17-18-16(20)19(15)14-6-10(2-3-13(12)14)11-4-5-22-9-11/h2-7,9H,8H2,1H3,(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	3	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 22: 2330-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.043 BindingDB Entry DOI: 10.7270/Q2GM88B0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243624 ((R)-1-(3-(azepan-3-ylcarbamoyl)-5-phenylthiophen-2...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@@H]1CCCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C18H22N4O2S/c19-18(24)22-17-14(10-15(25-17)12-6-2-1-3-7-12)16(23)21-13-8-4-5-9-20-11-13/h1-3,6-7,10,13,20H,4-5,8-9,11H2,(H,21,23)(H3,19,22,24)/t13-/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	3	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair				3D Structure (docked)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288511 (CHEMBL4171692) Show SMILES CN1CCN(CC1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O Show InChI InChI=1S/C24H30N6O3S/c1-17-15-25-24(28-23(17)26-19-6-4-5-18(11-19)16-31)27-20-12-21(14-22(13-20)34(3,32)33)30-9-7-29(2)8-10-30/h4-6,11-15,31H,7-10,16H2,1-3H3,(H2,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288437 (CHEMBL4165758) Show SMILES Cc1cnc(Nc2cc(cc(c2)N2CCOCC2)N2CCOCC2)nc1Nc1cccc(CO)c1 Show InChI InChI=1S/C26H32N6O3/c1-19-17-27-26(30-25(19)28-21-4-2-3-20(13-21)18-33)29-22-14-23(31-5-9-34-10-6-31)16-24(15-22)32-7-11-35-12-8-32/h2-4,13-17,33H,5-12,18H2,1H3,(H2,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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 Curated by ChEMBL					Assay Description GRAC: human H3 selective antagonist				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
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))	BDBM50243151 ((S)-1-(3-(piperidin-3-ylcarbamoyl)-5-(pyridin-4-yl...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccncc1 |r| Show InChI InChI=1S/C16H19N5O2S/c17-16(23)21-15-12(14(22)20-11-2-1-5-19-9-11)8-13(24-15)10-3-6-18-7-4-10/h3-4,6-8,11,19H,1-2,5,9H2,(H,20,22)(H3,17,21,23)/t11-/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	4	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50379547 (CHEMBL2012859) Show SMILES CN1CCN(Cc2cc(cs2)-c2ccc3c(N)cc4n[nH]c(=O)n4c3c2)CC1 Show InChI InChI=1S/C20H22N6OS/c1-24-4-6-25(7-5-24)11-15-8-14(12-28-15)13-2-3-16-17(21)10-19-22-23-20(27)26(19)18(16)9-13/h2-3,8-10,12H,4-7,11,21H2,1H3,(H,23,27)	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	4	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 22: 2330-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.043 BindingDB Entry DOI: 10.7270/Q2GM88B0
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50135125 (CHEMBL3747305) Show SMILES COc1ccc(cc1OC)-c1nc2c(NCC3CCNCC3)c(Cl)cnc2[nH]1 Show InChI InChI=1S/C20H24ClN5O2/c1-27-15-4-3-13(9-16(15)28-2)19-25-18-17(14(21)11-24-20(18)26-19)23-10-12-5-7-22-8-6-12/h3-4,9,11-12,22H,5-8,10H2,1-2H3,(H2,23,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-fused human recombinant JAK1 (866 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH2 as subs...				Bioorg Med Chem Lett 26: 60-7 (2015) Article DOI: 10.1016/j.bmcl.2015.11.031 BindingDB Entry DOI: 10.7270/Q2Z60QWQ
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50389803 (AZD7762 | CHEMBL2041933) Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288442 (CHEMBL4173835) Show SMILES C[C@H]1CN(C[C@@H](C)N1)c1cc(Nc2ncc(C)c(Nc3cccc(CO)c3)n2)cc(c1)S(C)(=O)=O |r| Show InChI InChI=1S/C25H32N6O3S/c1-16-12-26-25(30-24(16)28-20-7-5-6-19(8-20)15-32)29-21-9-22(11-23(10-21)35(4,33)34)31-13-17(2)27-18(3)14-31/h5-12,17-18,27,32H,13-15H2,1-4H3,(H2,26,28,29,30)/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of cytoplasmic recombinant human GST-tagged JAK1 (886 to 1154 residues) expressed in insect cells using FITC-C6-KKHTDDGYMPMSPGVA-NH as sub...				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243047 (1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-carbamoylp...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccc(c1)C(N)=O |r| Show InChI InChI=1S/C18H21N5O3S/c19-15(24)11-4-1-3-10(7-11)14-8-13(17(27-14)23-18(20)26)16(25)22-12-5-2-6-21-9-12/h1,3-4,7-8,12,21H,2,5-6,9H2,(H2,19,24)(H,22,25)(H3,20,23,26)/t12-/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
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50389803 (AZD7762 | CHEMBL2041933) Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(F)c1 |r| Show InChI InChI=1S/C17H19FN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...				J Med Chem 55: 5130-42 (2012) Article DOI: 10.1021/jm300025r BindingDB Entry DOI: 10.7270/Q2RV0PR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243201 ((S)-1-(5-(4-carbamoylphenyl)-3-(piperidin-3-ylcarb...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C(N)=O |r| Show InChI InChI=1S/C18H21N5O3S/c19-15(24)11-5-3-10(4-6-11)14-8-13(17(27-14)23-18(20)26)16(25)22-12-2-1-7-21-9-12/h3-6,8,12,21H,1-2,7,9H2,(H2,19,24)(H,22,25)(H3,20,23,26)/t12-/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
AstraZeneca R&D Boston Curated by ChEMBL					Assay Description Inhibition of Chk1				Bioorg Med Chem Lett 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50379548 (CHEMBL2012858) Show SMILES CNCc1cc(cs1)-c1ccc2c(N)cc3n[nH]c(=O)n3c2c1 Show InChI InChI=1S/C16H15N5OS/c1-18-7-11-4-10(8-23-11)9-2-3-12-13(17)6-15-19-20-16(22)21(15)14(12)5-9/h2-6,8,18H,7,17H2,1H3,(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	5	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 22: 2330-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.043 BindingDB Entry DOI: 10.7270/Q2GM88B0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50254814 (CHEMBL4059912) Show SMILES C[C@H]1NCCC[C@@H]1Nc1ncc(C(N)=O)c2sc(cc12)-c1ccccc1 |r| Show InChI InChI=1S/C20H22N4OS/c1-12-16(8-5-9-22-12)24-20-14-10-17(13-6-3-2-4-7-13)26-18(14)15(11-23-20)19(21)25/h2-4,6-7,10-12,16,22H,5,8-9H2,1H3,(H2,21,25)(H,23,24)/t12-,16+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50255167 (CHEMBL4066751) Show SMILES Cn1cc(cn1)-c1cc2c(N[C@H]3CCCNC3)ncc(C(N)=O)c2s1 |r| Show InChI InChI=1S/C17H20N6OS/c1-23-9-10(6-21-23)14-5-12-15(25-14)13(16(18)24)8-20-17(12)22-11-3-2-4-19-7-11/h5-6,8-9,11,19H,2-4,7H2,1H3,(H2,18,24)(H,20,22)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50288376 (CHEMBL4177188) Show SMILES Cc1cnc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCN(CCO)CC2)nc1Nc1cccc(CO)c1 Show InChI InChI=1S/C25H32N6O4S/c1-18-16-26-25(29-24(18)27-20-5-3-4-19(12-20)17-33)28-21-13-22(15-23(14-21)36(2,34)35)31-8-6-30(7-9-31)10-11-32/h3-5,12-16,32-33H,6-11,17H2,1-2H3,(H2,26,27,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description GRAC: human p38a selective inhibitor				J Med Chem 61: 5235-5244 (2018) Article DOI: 10.1021/acs.jmedchem.8b00076 BindingDB Entry DOI: 10.7270/Q2JH3PP4
					More data for this Ligand-Target Pair
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))	BDBM50379549 (CHEMBL2012857) Show SMILES Nc1cc2n[nH]c(=O)n2c2cc(ccc12)-c1ccsc1 Show InChI InChI=1S/C14H10N4OS/c15-11-6-13-16-17-14(19)18(13)12-5-8(1-2-10(11)12)9-3-4-20-7-9/h1-7H,15H2,(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	6	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 22: 2330-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.043 BindingDB Entry DOI: 10.7270/Q2GM88B0
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50255178 (CHEMBL4079910) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccsc1 |r| Show InChI InChI=1S/C17H18N4OS2/c18-16(22)13-8-20-17(21-11-2-1-4-19-7-11)12-6-14(24-15(12)13)10-3-5-23-9-10/h3,5-6,8-9,11,19H,1-2,4,7H2,(H2,18,22)(H,20,21)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243102 ((S)-1-(5-(4-(methylsulfonyl)phenyl)-3-(piperidin-3...) Show SMILES CS(=O)(=O)c1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1 |r| Show InChI InChI=1S/C18H22N4O4S2/c1-28(25,26)13-6-4-11(5-7-13)15-9-14(17(27-15)22-18(19)24)16(23)21-12-3-2-8-20-10-12/h4-7,9,12,20H,2-3,8,10H2,1H3,(H,21,23)(H3,19,22,24)/t12-/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	6	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50389806 (CHEMBL2070714) Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-5-12(6-4-11)15-8-14(23-18(20)25)16(26-15)17(24)22-13-2-1-7-21-10-13/h3-6,8,13,21H,1-2,7,10H2,(H,22,24)(H3,20,23,25)/t13-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...				J Med Chem 55: 5130-42 (2012) Article DOI: 10.1021/jm300025r BindingDB Entry DOI: 10.7270/Q2RV0PR6
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50389817 (CHEMBL2070702) Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C17H19FN4O2S/c18-11-5-3-10(4-6-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-2-1-7-20-9-12/h3-6,8,12,20H,1-2,7,9H2,(H,21,23)(H3,19,22,24)/t12-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...				J Med Chem 55: 5130-42 (2012) Article DOI: 10.1021/jm300025r BindingDB Entry DOI: 10.7270/Q2RV0PR6
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243049 ((S)-1-(5-(4-cyanophenyl)-3-(piperidin-3-ylcarbamoy...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-5-12(6-4-11)15-8-14(17(26-15)23-18(20)25)16(24)22-13-2-1-7-21-10-13/h3-6,8,13,21H,1-2,7,10H2,(H,22,24)(H3,20,23,25)/t13-/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	6	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243150 (1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(pyridin-3-yl...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1cccnc1 |r| Show InChI InChI=1S/C16H19N5O2S/c17-16(23)21-15-12(14(22)20-11-4-2-6-19-9-11)7-13(24-15)10-3-1-5-18-8-10/h1,3,5,7-8,11,19H,2,4,6,9H2,(H,20,22)(H3,17,21,23)/t11-/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	6	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243149 (1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(thiophen-3-y...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccsc1 |r| Show InChI InChI=1S/C15H18N4O2S2/c16-15(21)19-14-11(6-12(23-14)9-3-5-22-8-9)13(20)18-10-2-1-4-17-7-10/h3,5-6,8,10,17H,1-2,4,7H2,(H,18,20)(H3,16,19,21)/t10-/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	6	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243049 ((S)-1-(5-(4-cyanophenyl)-3-(piperidin-3-ylcarbamoy...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-5-12(6-4-11)15-8-14(17(26-15)23-18(20)25)16(24)22-13-2-1-7-21-10-13/h3-6,8,13,21H,1-2,7,10H2,(H,22,24)(H3,20,23,25)/t13-/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	6	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...				J Med Chem 55: 5130-42 (2012) Article DOI: 10.1021/jm300025r BindingDB Entry DOI: 10.7270/Q2RV0PR6
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243258 ((S)-1-(5-phenyl-3-(piperidin-3-ylcarbamoyl)thiophe...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1	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	7	n/a	n/a	n/a	n/a	n/a	n/a
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50332136 ((S)-2-phenyl-4-(piperidin-3-ylamino)thieno[3,2-c]p...) Show SMILES NC(=O)c1cnc(N[C@H]2CCCNC2)c2cc(sc12)-c1ccccc1 |r| Show InChI InChI=1S/C19H20N4OS/c20-18(24)15-11-22-19(23-13-7-4-8-21-10-13)14-9-16(25-17(14)15)12-5-2-1-3-6-12/h1-3,5-6,9,11,13,21H,4,7-8,10H2,(H2,20,24)(H,22,23)/t13-/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	7	n/a	n/a	n/a	n/a	n/a	n/a
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					More data for this Ligand-Target Pair				3D Structure (docked)
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))	BDBM50243258 ((S)-1-(5-phenyl-3-(piperidin-3-ylcarbamoyl)thiophe...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1	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	7	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 22: 2330-7 (2012) Article DOI: 10.1016/j.bmcl.2012.01.043 BindingDB Entry DOI: 10.7270/Q2GM88B0
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243147 ((S)-1-(5-(4-acetylphenyl)-3-(piperidin-3-ylcarbamo...) Show SMILES CC(=O)c1ccc(cc1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1 |r| Show InChI InChI=1S/C19H22N4O3S/c1-11(24)12-4-6-13(7-5-12)16-9-15(18(27-16)23-19(20)26)17(25)22-14-3-2-8-21-10-14/h4-7,9,14,21H,2-3,8,10H2,1H3,(H,22,25)(H3,20,23,26)/t14-/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	7	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50389804 (CHEMBL2070716) Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(c1)C#N |r| Show InChI InChI=1S/C18H19N5O2S/c19-9-11-3-1-4-12(7-11)15-8-14(23-18(20)25)16(26-15)17(24)22-13-5-2-6-21-10-13/h1,3-4,7-8,13,21H,2,5-6,10H2,(H,22,24)(H3,20,23,25)/t13-/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	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...				J Med Chem 55: 5130-42 (2012) Article DOI: 10.1021/jm300025r BindingDB Entry DOI: 10.7270/Q2RV0PR6
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50242821 ((S)-1-(5-(4-hydroxyphenyl)-3-(piperidin-3-ylcarbam...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccc(O)cc1 |r| Show InChI InChI=1S/C17H20N4O3S/c18-17(24)21-16-13(15(23)20-11-2-1-7-19-9-11)8-14(25-16)10-3-5-12(22)6-4-10/h3-6,8,11,19,22H,1-2,7,9H2,(H,20,23)(H3,18,21,24)/t11-/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	7	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243258 ((S)-1-(5-phenyl-3-(piperidin-3-ylcarbamoyl)thiophe...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1	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	7	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243258 ((S)-1-(5-phenyl-3-(piperidin-3-ylcarbamoyl)thiophe...) Show SMILES NC(=O)Nc1sc(cc1C(=O)N[C@H]1CCCNC1)-c1ccccc1 |r| Show InChI InChI=1S/C17H20N4O2S/c18-17(23)21-16-13(15(22)20-12-7-4-8-19-10-12)9-14(24-16)11-5-2-1-3-6-11/h1-3,5-6,9,12,19H,4,7-8,10H2,(H,20,22)(H3,18,21,23)/t12-/m0/s1	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	7	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...				J Med Chem 55: 5130-42 (2012) Article DOI: 10.1021/jm300025r BindingDB Entry DOI: 10.7270/Q2RV0PR6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50243100 (1-(3-((S)-piperidin-3-ylcarbamoyl)-5-(3-acetamidop...) Show SMILES CC(=O)Nc1cccc(c1)-c1cc(C(=O)N[C@H]2CCCNC2)c(NC(N)=O)s1 |r| Show InChI InChI=1S/C19H23N5O3S/c1-11(25)22-13-5-2-4-12(8-13)16-9-15(18(28-16)24-19(20)27)17(26)23-14-6-3-7-21-10-14/h2,4-5,8-9,14,21H,3,6-7,10H2,1H3,(H,22,25)(H,23,26)(H3,20,24,27)/t14-/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	8	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 18: 4242-8 (2008) Article DOI: 10.1016/j.bmcl.2008.05.016 BindingDB Entry DOI: 10.7270/Q2J102Z9
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50389815 (CHEMBL2070704) Show SMILES NC(=O)Nc1cc(sc1C(=O)N[C@H]1CCCNC1)-c1cccc(Cl)c1 |r| Show InChI InChI=1S/C17H19ClN4O2S/c18-11-4-1-3-10(7-11)14-8-13(22-17(19)24)15(25-14)16(23)21-12-5-2-6-20-9-12/h1,3-4,7-8,12,20H,2,5-6,9H2,(H,21,23)(H3,19,22,24)/t12-/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	8	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of human recombinant CHK1 expressed in insect cells using biotinylaminohexanoyl-KKVSRSGLYRSPMPENLNRPR as substrate after 2 hrs by scintill...				J Med Chem 55: 5130-42 (2012) Article DOI: 10.1021/jm300025r BindingDB Entry DOI: 10.7270/Q2RV0PR6
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50255163 (CHEMBL4067770) Show SMILES NC(=O)c1ccc(N[C@H]2CCCNC2)c2cc([nH]c12)-c1cccc(F)c1 |r| Show InChI InChI=1S/C20H21FN4O/c21-13-4-1-3-12(9-13)18-10-16-17(24-14-5-2-8-23-11-14)7-6-15(20(22)26)19(16)25-18/h1,3-4,6-7,9-10,14,23-25H,2,5,8,11H2,(H2,22,26)/t14-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	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
Oncology Chemistry, IMED Biotech Unit, AstraZeneca , 35 Gatehouse Drive, Waltham, Massachusetts 02451, United States. Curated by ChEMBL					Assay Description Inhibition of CHK1 (unknown origin)				J Med Chem 61: 1061-1073 (2018) Article DOI: 10.1021/acs.jmedchem.7b01490 BindingDB Entry DOI: 10.7270/Q2PC34T5
					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

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