Compile Data Set for Download or QSAR

Found 963 hits with Last Name = 'matthews' and Initial = 'tp'   

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))	BDBM50555385 (CHEMBL4753307) Show SMILES [H][C@]12CC[C@]([H])(CC(C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2C |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328998 (1137478-52-4 | US11787792, Compound Y-158 | US9663...) Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C20H23N7O2/c1-20(2,28)4-3-14-9-25-18(27-19-13-23-15(8-21)10-26-19)7-17(14)24-12-16-11-22-5-6-29-16/h7,9-10,13,16,22,28H,5-6,11-12H2,1-2H3,(H2,24,25,26,27)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555401 (CHEMBL4742233) Show SMILES Cc1cnc(s1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555402 (CHEMBL4790962) Show SMILES Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401627 (CHEMBL2203844) Show SMILES COc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1-c1cnn(C)c1 |r| Show InChI InChI=1S/C19H20N8O2/c1-27-11-12(7-24-27)14-9-23-17(5-16(14)28-2)25-18-10-22-15(6-20)19(26-18)29-13-3-4-21-8-13/h5,7,9-11,13,21H,3-4,8H2,1-2H3,(H,23,25,26)/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401629 (CHEMBL2203839) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1-c1cnn(C)c1 |r| Show InChI InChI=1S/C19H21N9O/c1-21-15-5-17(24-9-14(15)12-7-25-28(2)11-12)26-18-10-23-16(6-20)19(27-18)29-13-3-4-22-8-13/h5,7,9-11,13,22H,3-4,8H2,1-2H3,(H2,21,24,26,27)/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555384 (CHEMBL4789854) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(Nc3cnc(cn3)C#N)ncc1C(=O)OC)N2 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328995 (1137478-47-7 | US11787792, Compound Y-154 | US9663...) Show SMILES COCC#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C19H21N7O2/c1-27-5-2-3-14-9-24-18(26-19-13-22-15(8-20)10-25-19)7-17(14)23-12-16-11-21-4-6-28-16/h7,9-10,13,16,21H,4-6,11-12H2,1H3,(H2,23,24,25,26)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328995 (1137478-47-7 | US11787792, Compound Y-154 | US9663...) Show SMILES COCC#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C19H21N7O2/c1-27-5-2-3-14-9-24-18(26-19-13-22-15(8-20)10-25-19)7-17(14)23-12-16-11-21-4-6-28-16/h7,9-10,13,16,21H,4-6,11-12H2,1H3,(H2,23,24,25,26)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401628 (CHEMBL2203840) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H]3CCNC3)n2)ncc1-c1cnn(C)c1 |r| Show InChI InChI=1S/C19H21N9O/c1-21-15-5-17(24-9-14(15)12-7-25-28(2)11-12)26-18-10-23-16(6-20)19(27-18)29-13-3-4-22-8-13/h5,7,9-11,13,22H,3-4,8H2,1-2H3,(H2,21,24,26,27)/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	<1	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328993 (5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(triflu...) Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328993 (5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(triflu...) Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328993 (5-[[4-[[(2R)-morpholin-2-yl]methylamino]-5-(triflu...) Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem		n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555409 (CHEMBL4754960) Show SMILES Clc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328996 (1137477-07-6 | US11787792, Compound Y-081 | US9663...) Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1 Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328997 (1137478-45-5 | US11787792, Compound Y-152 | US9663...) Show SMILES Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C19H21N9O/c1-28-12-13(6-26-28)16-10-25-18(27-19-11-22-14(5-20)7-24-19)4-17(16)23-9-15-8-21-2-3-29-15/h4,6-7,10-12,15,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328998 (1137478-52-4 | US11787792, Compound Y-158 | US9663...) Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C20H23N7O2/c1-20(2,28)4-3-14-9-25-18(27-19-13-23-15(8-21)10-26-19)7-17(14)24-12-16-11-22-5-6-29-16/h7,9-10,13,16,22,28H,5-6,11-12H2,1-2H3,(H2,24,25,26,27)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328996 (1137477-07-6 | US11787792, Compound Y-081 | US9663...) Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1 Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328997 (1137478-45-5 | US11787792, Compound Y-152 | US9663...) Show SMILES Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C19H21N9O/c1-28-12-13(6-26-28)16-10-25-18(27-19-11-22-14(5-20)7-24-19)4-17(16)23-9-15-8-21-2-3-29-15/h4,6-7,10-12,15,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328998 (1137478-52-4 | US11787792, Compound Y-158 | US9663...) Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C20H23N7O2/c1-20(2,28)4-3-14-9-25-18(27-19-13-23-15(8-21)10-26-19)7-17(14)24-12-16-11-22-5-6-29-16/h7,9-10,13,16,22,28H,5-6,11-12H2,1-2H3,(H2,24,25,26,27)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328994 (5-[[4-[[(2S)-morpholin-2-yl]methylamino]-5-(triflu...) Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555405 (CHEMBL4784718) Show SMILES OC1(CCCC1)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328994 (5-[[4-[[(2S)-morpholin-2-yl]methylamino]-5-(triflu...) Show SMILES FC(F)(F)c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C16H16F3N7O/c17-16(18,19)12-8-25-14(26-15-9-22-10(4-20)5-24-15)3-13(12)23-7-11-6-21-1-2-27-11/h3,5,8-9,11,21H,1-2,6-7H2,(H2,23,24,25,26)/t11-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM2579 ((2S,3R,4R,6R)-3-methoxy-2-methyl-4-(methylamino)-2...) Show SMILES CN[C@@H]1C[C@H]2O[C@@](C)([C@@H]1OC)n1c3ccccc3c3c4CNC(=O)c4c4c5ccccc5n2c4c13 |r| Show InChI InChI=1S/C28H26N4O3/c1-28-26(34-3)17(29-2)12-20(35-28)31-18-10-6-4-8-14(18)22-23-16(13-30-27(23)33)21-15-9-5-7-11-19(15)32(28)25(21)24(22)31/h4-11,17,20,26,29H,12-13H2,1-3H3,(H,30,33)/t17-,20-,26-,28+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Competitive inhibition of human CHK1 using ATP as substrate by DELFIA				J Med Chem 54: 8328-42 (2011) Article DOI: 10.1021/jm2007326 BindingDB Entry DOI: 10.7270/Q2GH9JDJ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328996 (1137477-07-6 | US11787792, Compound Y-081 | US9663...) Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CNCCO1 Show InChI InChI=1S/C17H19N7O3/c1-26-17(25)13-9-23-15(24-16-10-20-11(5-18)6-22-16)4-14(13)21-8-12-7-19-2-3-27-12/h4,6,9-10,12,19H,2-3,7-8H2,1H3,(H2,21,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329000 (1137478-46-6 | US11787792, Compound Y-153 | US9663...) Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C20H23N7O2/c1-20(2,28)4-3-14-9-25-18(27-19-13-23-15(8-21)10-26-19)7-17(14)24-12-16-11-22-5-6-29-16/h7,9-10,13,16,22,28H,5-6,11-12H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555383 (CHEMBL4784549) Show SMILES COC(=O)c1cnc(Nc2cnc(cn2)C#N)cc1NC1CCN(C)CC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401632 (CHEMBL2204590) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1C#CC(C)(C)O |r| Show InChI InChI=1S/C21H27N7O2/c1-14(13-28(5)6)30-20-17(10-22)24-12-19(27-20)26-18-9-16(23-4)15(11-25-18)7-8-21(2,3)29/h9,11-12,14,29H,13H2,1-6H3,(H2,23,25,26,27)/t14-/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	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401617 (CHEMBL2204592 | US9403797, PAPC-A-02) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r| Show InChI InChI=1S/C20H25N9O/c1-13(11-28(3)4)30-20-17(7-21)23-10-19(27-20)26-18-6-16(22-2)15(9-24-18)14-8-25-29(5)12-14/h6,8-10,12-13H,11H2,1-5H3,(H2,22,24,26,27)/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	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328997 (1137478-45-5 | US11787792, Compound Y-152 | US9663...) Show SMILES Cn1cc(cn1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C19H21N9O/c1-28-12-13(6-26-28)16-10-25-18(27-19-11-22-14(5-20)7-24-19)4-17(16)23-9-15-8-21-2-3-29-15/h4,6-7,10-12,15,21H,2-3,8-9H2,1H3,(H2,23,24,25,27)/t15-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401615 (CHEMBL2203842) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1 |r| Show InChI InChI=1S/C20H23N9O/c1-22-16-6-18(24-9-15(16)13-8-25-29(3)11-13)26-19-10-23-17(7-21)20(27-19)30-14-4-5-28(2)12-14/h6,8-11,14H,4-5,12H2,1-3H3,(H2,22,24,26,27)/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	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50359810 (CHEMBL1928701) Show SMILES Clc1cccc2cc(Nc3cnc(C#N)c(OC4CCCNC4)n3)ncc12 Show InChI InChI=1S/C19H17ClN6O/c20-15-5-1-3-12-7-17(24-10-14(12)15)25-18-11-23-16(8-21)19(26-18)27-13-4-2-6-22-9-13/h1,3,5,7,10-11,13,22H,2,4,6,9H2,(H,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Competitive inhibition of human CHK1 using ATP as substrate by DELFIA				J Med Chem 54: 8328-42 (2011) Article DOI: 10.1021/jm2007326 BindingDB Entry DOI: 10.7270/Q2GH9JDJ
					More data for this Ligand-Target Pair				3D Structure (docked)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328999 (1137478-38-6 | US11787792, Compound Y-147 | US9663...) Show SMILES COc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H23N7O2/c1-30-17-4-2-15(3-5-17)19-13-28-21(29-22-14-25-16(9-23)10-27-22)8-20(19)26-12-18-11-24-6-7-31-18/h2-5,8,10,13-14,18,24H,6-7,11-12H2,1H3,(H2,26,27,28,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329000 (1137478-46-6 | US11787792, Compound Y-153 | US9663...) Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C20H23N7O2/c1-20(2,28)4-3-14-9-25-18(27-19-13-23-15(8-21)10-26-19)7-17(14)24-12-16-11-22-5-6-29-16/h7,9-10,13,16,22,28H,5-6,11-12H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329000 (1137478-46-6 | US11787792, Compound Y-153 | US9663...) Show SMILES CC(C)(O)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C20H23N7O2/c1-20(2,28)4-3-14-9-25-18(27-19-13-23-15(8-21)10-26-19)7-17(14)24-12-16-11-22-5-6-29-16/h7,9-10,13,16,22,28H,5-6,11-12H2,1-2H3,(H2,24,25,26,27)/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328999 (1137478-38-6 | US11787792, Compound Y-147 | US9663...) Show SMILES COc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H23N7O2/c1-30-17-4-2-15(3-5-17)19-13-28-21(29-22-14-25-16(9-23)10-27-22)8-20(19)26-12-18-11-24-6-7-31-18/h2-5,8,10,13-14,18,24H,6-7,11-12H2,1H3,(H2,26,27,28,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401616 (CHEMBL2203841) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1 |r| Show InChI InChI=1S/C20H23N9O/c1-22-16-6-18(24-9-15(16)13-8-25-29(3)11-13)26-19-10-23-17(7-21)20(27-19)30-14-4-5-28(2)12-14/h6,8-11,14H,4-5,12H2,1-3H3,(H2,22,24,26,27)/t14-/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	4.40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555404 (CHEMBL4797851) Show SMILES Cn1ncc2cc(ccc12)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555392 (CHEMBL4760882) Show SMILES OCC\C=C\c1cnc(Nc2cnc(cn2)C#N)cc1NCC1CCNCC1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329001 (1137478-48-8 | US11787792, Compound Y-155 | US9663...) Show SMILES COC(C)(C)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C21H25N7O2/c1-21(2,29-3)5-4-15-10-26-19(28-20-14-24-16(9-22)11-27-20)8-18(15)25-13-17-12-23-6-7-30-17/h8,10-11,14,17,23H,6-7,12-13H2,1-3H3,(H2,25,26,27,28)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM329001 (1137478-48-8 | US11787792, Compound Y-155 | US9663...) Show SMILES COC(C)(C)C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI InChI=1S/C21H25N7O2/c1-21(2,29-3)5-4-15-10-26-19(28-20-14-24-16(9-22)11-27-20)8-18(15)25-13-17-12-23-6-7-30-17/h8,10-11,14,17,23H,6-7,12-13H2,1-3H3,(H2,25,26,27,28)/t17-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Cancer Research Technology Limited US Patent					Assay Description CHK1 kinase activity was measured in a microfluidic assay that monitors the separation of a phosphorylated product from its substrate. The assay was ...				US Patent US9663503 (2017) BindingDB Entry DOI: 10.7270/Q2T43W7G
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555406 (CHEMBL4740741) Show SMILES C#Cc1cnc(Nc2cnc(cn2)C#N)cc1NC[C@@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50555398 (CHEMBL4742116) Show SMILES Clc1cccc(c1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401623 (CHEMBL2203848) Show SMILES CNc1cc(Nc2cnc(C#N)c(O[C@@H]3CCNC3)n2)ncc1C(=O)OC |r| Show InChI InChI=1S/C17H19N7O3/c1-19-12-5-14(22-8-11(12)17(25)26-2)23-15-9-21-13(6-18)16(24-15)27-10-3-4-20-7-10/h5,8-10,20H,3-4,7H2,1-2H3,(H2,19,22,23,24)/t10-/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	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20928 (5-[2,4-dihydroxy-5-(propan-2-yl)phenyl]-N-ethyl-4-...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN2CCCCC2)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C27H33N3O4/c1-4-28-27(33)25-24(19-10-8-18(9-11-19)16-30-12-6-5-7-13-30)26(34-29-25)21-14-20(17(2)3)22(31)15-23(21)32/h8-11,14-15,17,31-32H,4-7,12-13,16H2,1-3H3,(H,28,33)	PDB MMDB 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	40	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...				J Med Chem 51: 196-218 (2008) Article DOI: 10.1021/jm701018h BindingDB Entry DOI: 10.7270/Q2JW8C5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401614 (CHEMBL2203843 | US9403797, PAPC-A-01) Show SMILES COc1cc(Nc2cnc(C#N)c(O[C@H](C)CN(C)C)n2)ncc1-c1cnn(C)c1 |r| Show InChI InChI=1S/C20H24N8O2/c1-13(11-27(2)3)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-5)15(9-23-18)14-8-24-28(4)12-14/h6,8-10,12-13H,11H2,1-5H3,(H,23,25,26)/t13-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	7.4	25
Cancer Research Technology Limited US Patent					Assay Description In vitro CHK2 kinase activity was measured in a DELFIA® assay that monitors phosphorylation of a CDC25C peptide using a specific phospho antibody...				US Patent US9403797 (2016) BindingDB Entry DOI: 10.7270/Q27M06T7
					More data for this Ligand-Target Pair
Heat shock protein HSP 90-beta (Homo sapiens (Human))	BDBM20927 (4-{4-[(diethylamino)methyl]phenyl}-5-[2,4-dihydrox...) Show SMILES CCNC(=O)c1noc(c1-c1ccc(CN(CC)CC)cc1)-c1cc(C(C)C)c(O)cc1O Show InChI InChI=1S/C26H33N3O4/c1-6-27-26(32)24-23(18-11-9-17(10-12-18)15-29(7-2)8-3)25(33-28-24)20-13-19(16(4)5)21(30)14-22(20)31/h9-14,16,30-31H,6-8,15H2,1-5H3,(H,27,32)	PDB MMDB 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	6	n/a	n/a	n/a	n/a
Vernalis (R&D) Ltd					Assay Description The assay is based upon displacement of a fluorescently labeled molecule, which binds specifically to the ATP-binding site of full-length human Hsp90...				J Med Chem 51: 196-218 (2008) Article DOI: 10.1021/jm701018h BindingDB Entry DOI: 10.7270/Q2JW8C5C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50359807 (CHEMBL1928705) Show SMILES C[C@H](CN(C)C)Oc1nc(Nc2cc3cccc(Cl)c3cn2)cnc1C#N |r| Show InChI InChI=1S/C19H19ClN6O/c1-12(11-26(2)3)27-19-16(8-21)22-10-18(25-19)24-17-7-13-5-4-6-15(20)14(13)9-23-17/h4-7,9-10,12H,11H2,1-3H3,(H,23,24,25)/t12-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	6.10	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair				3D Structure (crystal)
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50401626 (CHEMBL2203845) Show SMILES COc1cc(Nc2cnc(C#N)c(O[C@@H]3CCN(C)C3)n2)ncc1-c1cnn(C)c1 |r| Show InChI InChI=1S/C20H22N8O2/c1-27-5-4-14(12-27)30-20-16(7-21)22-10-19(26-20)25-18-6-17(29-3)15(9-23-18)13-8-24-28(2)11-13/h6,8-11,14H,4-5,12H2,1-3H3,(H,23,25,26)/t14-/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	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Institute of Cancer Research Curated by ChEMBL					Assay Description Inhibition of CHK1 using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH as substrate after 1 hr by microfluidic assay in presence of ATP				J Med Chem 55: 10229-40 (2012) Article DOI: 10.1021/jm3012933 BindingDB Entry DOI: 10.7270/Q2N87BZM
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM328999 (1137478-38-6 | US11787792, Compound Y-147 | US9663...) Show SMILES COc1ccc(cc1)-c1cnc(Nc2cnc(cn2)C#N)cc1NC[C@H]1CNCCO1 |r| Show InChI InChI=1S/C22H23N7O2/c1-30-17-4-2-15(3-5-17)19-13-28-21(29-22-14-25-16(9-23)10-27-22)8-20(19)26-12-18-11-24-6-7-31-18/h2-5,8,10,13-14,18,24H,6-7,11-12H2,1H3,(H2,26,27,28,29)/t18-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of CHK1 (unknown origin) using 5-FAM-KKKVSRSGLYRSPSMPENLNRPR-COOH peptide as substrate incubated for 1 hr in presence of ATP by caliper mi...				Citation and Details Article DOI: 10.1021/acs.jmedchem.5b01938 BindingDB Entry DOI: 10.7270/Q2MG7T5V
					More data for this Ligand-Target Pair

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