Compile Data Set for Download or QSAR

Found 388 hits with Last Name = 'boyce' and Initial = 'rj'   

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))	BDBM402004 (5-[[5-[4-[(1-isopropyl-4-piperidyl)amino]-2-methox...) Show SMILES COc1cc(NC2CCN(CC2)C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C23H28N8O/c1-15(2)31-8-6-16(7-9-31)27-17-4-5-19(21(10-17)32-3)20-11-22(30-29-20)28-23-14-25-18(12-24)13-26-23/h4-5,10-11,13-16,27H,6-9H2,1-3H3,(H2,26,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402004 (5-[[5-[4-[(1-isopropyl-4-piperidyl)amino]-2-methox...) Show SMILES COc1cc(NC2CCN(CC2)C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C23H28N8O/c1-15(2)31-8-6-16(7-9-31)27-17-4-5-19(21(10-17)32-3)20-11-22(30-29-20)28-23-14-25-18(12-24)13-26-23/h4-5,10-11,13-16,27H,6-9H2,1-3H3,(H2,26,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00400	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402003 (5-[[5-[4-[(1-ethyl-4-piperidyl)amino]-2-methoxy-ph...) Show SMILES CCN1CCC(CC1)Nc1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H26N8O/c1-3-30-8-6-15(7-9-30)26-16-4-5-18(20(10-16)31-2)19-11-21(29-28-19)27-22-14-24-17(12-23)13-25-22/h4-5,10-11,13-15,26H,3,6-9H2,1-2H3,(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402003 (5-[[5-[4-[(1-ethyl-4-piperidyl)amino]-2-methoxy-ph...) Show SMILES CCN1CCC(CC1)Nc1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H26N8O/c1-3-30-8-6-15(7-9-30)26-16-4-5-18(20(10-16)31-2)19-11-21(29-28-19)27-22-14-24-17(12-23)13-25-22/h4-5,10-11,13-15,26H,3,6-9H2,1-2H3,(H2,25,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00500	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402002 (5-[[5-[2-methoxy-4-[(1-methyl-4-piperidyl)amino]ph...) Show SMILES COc1cc(NC2CCN(C)CC2)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C21H24N8O/c1-29-7-5-14(6-8-29)25-15-3-4-17(19(9-15)30-2)18-10-20(28-27-18)26-21-13-23-16(11-22)12-24-21/h3-4,9-10,12-14,25H,5-8H2,1-2H3,(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402002 (5-[[5-[2-methoxy-4-[(1-methyl-4-piperidyl)amino]ph...) Show SMILES COc1cc(NC2CCN(C)CC2)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C21H24N8O/c1-29-7-5-14(6-8-29)25-15-3-4-17(19(9-15)30-2)18-10-20(28-27-18)26-21-13-23-16(11-22)12-24-21/h3-4,9-10,12-14,25H,5-8H2,1-2H3,(H2,24,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00700	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402035 (5-[[5-[4-[(1-ethyl-4-piperidyl)methyl-methyl-amino...) Show SMILES CCN1CCC(CN(C)c2ccc(-c3cc(Nc4cnc(cn4)C#N)n[nH]3)c(OC)c2)CC1 Show InChI InChI=1S/C24H30N8O/c1-4-32-9-7-17(8-10-32)16-31(2)19-5-6-20(22(11-19)33-3)21-12-23(30-29-21)28-24-15-26-18(13-25)14-27-24/h5-6,11-12,14-15,17H,4,7-10,16H2,1-3H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402035 (5-[[5-[4-[(1-ethyl-4-piperidyl)methyl-methyl-amino...) Show SMILES CCN1CCC(CN(C)c2ccc(-c3cc(Nc4cnc(cn4)C#N)n[nH]3)c(OC)c2)CC1 Show InChI InChI=1S/C24H30N8O/c1-4-32-9-7-17(8-10-32)16-31(2)19-5-6-20(22(11-19)33-3)21-12-23(30-29-21)28-24-15-26-18(13-25)14-27-24/h5-6,11-12,14-15,17H,4,7-10,16H2,1-3H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.00800	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402036 (5-[[5-[4-[(isobutylamino)methyl]-2-methoxy-phenyl]...) Show SMILES COc1cc(CNCC(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C20H23N7O/c1-13(2)9-22-10-14-4-5-16(18(6-14)28-3)17-7-19(27-26-17)25-20-12-23-15(8-21)11-24-20/h4-7,11-13,22H,9-10H2,1-3H3,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402036 (5-[[5-[4-[(isobutylamino)methyl]-2-methoxy-phenyl]...) Show SMILES COc1cc(CNCC(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C20H23N7O/c1-13(2)9-22-10-14-4-5-16(18(6-14)28-3)17-7-19(27-26-17)25-20-12-23-15(8-21)11-24-20/h4-7,11-13,22H,9-10H2,1-3H3,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0120	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401984 (5-[[5-[4-[(3R)-3,4-dimethylpiperazin-1-yl]-2-metho...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)N1CCN(C)[C@H](C)C1 Show InChI InChI=1S/C21H24N8O/c1-14-13-29(7-6-28(14)2)16-4-5-17(19(8-16)30-3)18-9-20(27-26-18)25-21-12-23-15(10-22)11-24-21/h4-5,8-9,11-12,14H,6-7,13H2,1-3H3,(H2,24,25,26,27)/t14-/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	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401974 (5-[[5-[2-methoxy-4-[(3R)-3-methylpiperazin-1-yl]ph...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)N1CCN[C@H](C)C1 Show InChI InChI=1S/C20H22N8O/c1-13-12-28(6-5-22-13)15-3-4-16(18(7-15)29-2)17-8-19(27-26-17)25-20-11-23-14(9-21)10-24-20/h3-4,7-8,10-11,13,22H,5-6,12H2,1-2H3,(H2,24,25,26,27)/t13-/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	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401985 (5-[[5-[4-[(3R)-4-ethyl-3-methyl-piperazin-1-yl]-2-...) Show SMILES CCN1CCN(C[C@H]1C)c1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H26N8O/c1-4-29-7-8-30(14-15(29)2)17-5-6-18(20(9-17)31-3)19-10-21(28-27-19)26-22-13-24-16(11-23)12-25-22/h5-6,9-10,12-13,15H,4,7-8,14H2,1-3H3,(H2,25,26,27,28)/t15-/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	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401985 (5-[[5-[4-[(3R)-4-ethyl-3-methyl-piperazin-1-yl]-2-...) Show SMILES CCN1CCN(C[C@H]1C)c1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H26N8O/c1-4-29-7-8-30(14-15(29)2)17-5-6-18(20(9-17)31-3)19-10-21(28-27-19)26-22-13-24-16(11-23)12-25-22/h5-6,9-10,12-13,15H,4,7-8,14H2,1-3H3,(H2,25,26,27,28)/t15-/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	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401974 (5-[[5-[2-methoxy-4-[(3R)-3-methylpiperazin-1-yl]ph...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)N1CCN[C@H](C)C1 Show InChI InChI=1S/C20H22N8O/c1-13-12-28(6-5-22-13)15-3-4-16(18(7-15)29-2)17-8-19(27-26-17)25-20-11-23-14(9-21)10-24-20/h3-4,7-8,10-11,13,22H,5-6,12H2,1-2H3,(H2,24,25,26,27)/t13-/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	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401984 (5-[[5-[4-[(3R)-3,4-dimethylpiperazin-1-yl]-2-metho...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)N1CCN(C)[C@H](C)C1 Show InChI InChI=1S/C21H24N8O/c1-14-13-29(7-6-28(14)2)16-4-5-17(19(8-16)30-3)18-9-20(27-26-18)25-21-12-23-15(10-22)11-24-21/h4-5,8-9,11-12,14H,6-7,13H2,1-3H3,(H2,24,25,26,27)/t14-/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	0.0160	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402031 (5-[[5-[4-[[(3R)-1-isopropylpyrrolidin-3-yl]oxymeth...) Show SMILES COc1cc(CO[C@@H]2CCN(C2)C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C23H27N7O2/c1-15(2)30-7-6-18(13-30)32-14-16-4-5-19(21(8-16)31-3)20-9-22(29-28-20)27-23-12-25-17(10-24)11-26-23/h4-5,8-9,11-12,15,18H,6-7,13-14H2,1-3H3,(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	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402031 (5-[[5-[4-[[(3R)-1-isopropylpyrrolidin-3-yl]oxymeth...) Show SMILES COc1cc(CO[C@@H]2CCN(C2)C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C23H27N7O2/c1-15(2)30-7-6-18(13-30)32-14-16-4-5-19(21(8-16)31-3)20-9-22(29-28-20)27-23-12-25-17(10-24)11-26-23/h4-5,8-9,11-12,15,18H,6-7,13-14H2,1-3H3,(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	0.0190	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402030 (5-[[5-[4-[[(3R)-1-ethylpyrrolidin-3-yl]oxymethyl]-...) Show SMILES CCN1CC[C@H](C1)OCc1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H25N7O2/c1-3-29-7-6-17(13-29)31-14-15-4-5-18(20(8-15)30-2)19-9-21(28-27-19)26-22-12-24-16(10-23)11-25-22/h4-5,8-9,11-12,17H,3,6-7,13-14H2,1-2H3,(H2,25,26,27,28)/t17-/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	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402033 (5-[[5-[4-[(1-ethyl-4-piperidyl)methyl]-2-methoxy-p...) Show SMILES CCN1CCC(Cc2ccc(-c3cc(Nc4cnc(cn4)C#N)n[nH]3)c(OC)c2)CC1 Show InChI InChI=1S/C23H27N7O/c1-3-30-8-6-16(7-9-30)10-17-4-5-19(21(11-17)31-2)20-12-22(29-28-20)27-23-15-25-18(13-24)14-26-23/h4-5,11-12,14-16H,3,6-10H2,1-2H3,(H2,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402033 (5-[[5-[4-[(1-ethyl-4-piperidyl)methyl]-2-methoxy-p...) Show SMILES CCN1CCC(Cc2ccc(-c3cc(Nc4cnc(cn4)C#N)n[nH]3)c(OC)c2)CC1 Show InChI InChI=1S/C23H27N7O/c1-3-30-8-6-16(7-9-30)10-17-4-5-19(21(11-17)31-2)20-12-22(29-28-20)27-23-15-25-18(13-24)14-26-23/h4-5,11-12,14-16H,3,6-10H2,1-2H3,(H2,26,27,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402030 (5-[[5-[4-[[(3R)-1-ethylpyrrolidin-3-yl]oxymethyl]-...) Show SMILES CCN1CC[C@H](C1)OCc1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H25N7O2/c1-3-29-7-6-17(13-29)31-14-15-4-5-18(20(8-15)30-2)19-9-21(28-27-19)26-22-12-24-16(10-23)11-25-22/h4-5,8-9,11-12,17H,3,6-7,13-14H2,1-2H3,(H2,25,26,27,28)/t17-/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	0.0210	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402010 (5-[[5-[2-methoxy-4-[(2R)-4-ethylmorpholin-2-yl]phe...) Show SMILES CCN1CCO[C@@H](C1)c1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C21H23N7O2/c1-3-28-6-7-30-19(13-28)14-4-5-16(18(8-14)29-2)17-9-20(27-26-17)25-21-12-23-15(10-22)11-24-21/h4-5,8-9,11-12,19H,3,6-7,13H2,1-2H3,(H2,24,25,26,27)/t19-/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	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401957 (5-[[5-[2-methoxy-4-(1-methylazetidin-3-yl)phenyl]-...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)C1CN(C)C1 Show InChI InChI=1S/C19H19N7O/c1-26-10-13(11-26)12-3-4-15(17(5-12)27-2)16-6-18(25-24-16)23-19-9-21-14(7-20)8-22-19/h3-6,8-9,13H,10-11H2,1-2H3,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402010 (5-[[5-[2-methoxy-4-[(2R)-4-ethylmorpholin-2-yl]phe...) Show SMILES CCN1CCO[C@@H](C1)c1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C21H23N7O2/c1-3-28-6-7-30-19(13-28)14-4-5-16(18(8-14)29-2)17-9-20(27-26-17)25-21-12-23-15(10-22)11-24-21/h4-5,8-9,11-12,19H,3,6-7,13H2,1-2H3,(H2,24,25,26,27)/t19-/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	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401957 (5-[[5-[2-methoxy-4-(1-methylazetidin-3-yl)phenyl]-...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)C1CN(C)C1 Show InChI InChI=1S/C19H19N7O/c1-26-10-13(11-26)12-3-4-15(17(5-12)27-2)16-6-18(25-24-16)23-19-9-21-14(7-20)8-22-19/h3-6,8-9,13H,10-11H2,1-2H3,(H2,22,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0220	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402018 (5-[[5-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-2-...) Show SMILES CCN1CCC[C@H]1COc1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H25N7O2/c1-3-29-8-4-5-16(29)14-31-17-6-7-18(20(9-17)30-2)19-10-21(28-27-19)26-22-13-24-15(11-23)12-25-22/h6-7,9-10,12-13,16H,3-5,8,14H2,1-2H3,(H2,25,26,27,28)/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	0.0230	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402018 (5-[[5-[4-[[(2S)-1-ethylpyrrolidin-2-yl]methoxy]-2-...) Show SMILES CCN1CCC[C@H]1COc1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H25N7O2/c1-3-29-8-4-5-16(29)14-31-17-6-7-18(20(9-17)30-2)19-10-21(28-27-19)26-22-13-24-15(11-23)12-25-22/h6-7,9-10,12-13,16H,3-5,8,14H2,1-2H3,(H2,25,26,27,28)/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	0.0230	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402020 (5-[[5-[4-[(cyclopropylmethylamino)methyl]-2-methox...) Show SMILES COc1cc(CNCC2CC2)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C20H21N7O/c1-28-18-6-14(10-22-9-13-2-3-13)4-5-16(18)17-7-19(27-26-17)25-20-12-23-15(8-21)11-24-20/h4-7,11-13,22H,2-3,9-10H2,1H3,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402020 (5-[[5-[4-[(cyclopropylmethylamino)methyl]-2-methox...) Show SMILES COc1cc(CNCC2CC2)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C20H21N7O/c1-28-18-6-14(10-22-9-13-2-3-13)4-5-16(18)17-7-19(27-26-17)25-20-12-23-15(8-21)11-24-20/h4-7,11-13,22H,2-3,9-10H2,1H3,(H2,24,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0250	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401914 (5-[[5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C20H22N8O/c1-27-5-7-28(8-6-27)15-3-4-16(18(9-15)29-2)17-10-19(26-25-17)24-20-13-22-14(11-21)12-23-20/h3-4,9-10,12-13H,5-8H2,1-2H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401906 (5-[[5-[2-methoxy-4-[(tetrahydropyran-4-ylamino)met...) Show SMILES COc1cc(CNC2CCOCC2)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C21H23N7O2/c1-29-19-8-14(11-23-15-4-6-30-7-5-15)2-3-17(19)18-9-20(28-27-18)26-21-13-24-16(10-22)12-25-21/h2-3,8-9,12-13,15,23H,4-7,11H2,1H3,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401914 (5-[[5-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)N1CCN(C)CC1 Show InChI InChI=1S/C20H22N8O/c1-27-5-7-28(8-6-27)15-3-4-16(18(9-15)29-2)17-10-19(26-25-17)24-20-13-22-14(11-21)12-23-20/h3-4,9-10,12-13H,5-8H2,1-2H3,(H2,23,24,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402034 (5-[[5-[4-[(1-isopropyl-4-piperidyl)methyl]-2-metho...) Show SMILES COc1cc(CC2CCN(CC2)C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C24H29N7O/c1-16(2)31-8-6-17(7-9-31)10-18-4-5-20(22(11-18)32-3)21-12-23(30-29-21)28-24-15-26-19(13-25)14-27-24/h4-5,11-12,14-17H,6-10H2,1-3H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401906 (5-[[5-[2-methoxy-4-[(tetrahydropyran-4-ylamino)met...) Show SMILES COc1cc(CNC2CCOCC2)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C21H23N7O2/c1-29-19-8-14(11-23-15-4-6-30-7-5-15)2-3-17(19)18-9-20(28-27-18)26-21-13-24-16(10-22)12-25-21/h2-3,8-9,12-13,15,23H,4-7,11H2,1H3,(H2,25,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402034 (5-[[5-[4-[(1-isopropyl-4-piperidyl)methyl]-2-metho...) Show SMILES COc1cc(CC2CCN(CC2)C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C24H29N7O/c1-16(2)31-8-6-17(7-9-31)10-18-4-5-20(22(11-18)32-3)21-12-23(30-29-21)28-24-15-26-19(13-25)14-27-24/h4-5,11-12,14-17H,6-10H2,1-3H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0260	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402009 (5-[[5-[2-methoxy-4-[(2R)-4-methylmorpholin-2-yl]ph...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)[C@@H]1CN(C)CCO1 Show InChI InChI=1S/C20H21N7O2/c1-27-5-6-29-18(12-27)13-3-4-15(17(7-13)28-2)16-8-19(26-25-16)24-20-11-22-14(9-21)10-23-20/h3-4,7-8,10-11,18H,5-6,12H2,1-2H3,(H2,23,24,25,26)/t18-/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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402029 (5-[[5-[4-[[(3S)-1-isopropylpyrrolidin-3-yl]oxymeth...) Show SMILES COc1cc(CO[C@H]2CCN(C2)C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C23H27N7O2/c1-15(2)30-7-6-18(13-30)32-14-16-4-5-19(21(8-16)31-3)20-9-22(29-28-20)27-23-12-25-17(10-24)11-26-23/h4-5,8-9,11-12,15,18H,6-7,13-14H2,1-3H3,(H2,26,27,28,29)/t18-/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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402029 (5-[[5-[4-[[(3S)-1-isopropylpyrrolidin-3-yl]oxymeth...) Show SMILES COc1cc(CO[C@H]2CCN(C2)C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C23H27N7O2/c1-15(2)30-7-6-18(13-30)32-14-16-4-5-19(21(8-16)31-3)20-9-22(29-28-20)27-23-12-25-17(10-24)11-26-23/h4-5,8-9,11-12,15,18H,6-7,13-14H2,1-3H3,(H2,26,27,28,29)/t18-/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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402009 (5-[[5-[2-methoxy-4-[(2R)-4-methylmorpholin-2-yl]ph...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)[C@@H]1CN(C)CCO1 Show InChI InChI=1S/C20H21N7O2/c1-27-5-6-29-18(12-27)13-3-4-15(17(7-13)28-2)16-8-19(26-25-16)24-20-11-22-14(9-21)10-23-20/h3-4,7-8,10-11,18H,5-6,12H2,1-2H3,(H2,23,24,25,26)/t18-/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	0.0270	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM120931 (US8716287, 64) Show SMILES COc1cc(CCNCc2ccc(cc2)N2CCNCC2)c(Cl)cc1NC(=O)Nc1cnc(cn1)C#N Show InChI InChI=1S/C26H29ClN8O2/c1-37-24-12-19(6-7-30-15-18-2-4-21(5-3-18)35-10-8-29-9-11-35)22(27)13-23(24)33-26(36)34-25-17-31-20(14-28)16-32-25/h2-5,12-13,16-17,29-30H,6-11,15H2,1H3,(H2,32,33,34,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	7.5	n/a
Sentinel Oncology Limited US Patent					Assay Description The compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set out below. Reaction Buffer: Base R...				US Patent US8716287 (2014) BindingDB Entry DOI: 10.7270/Q2TD9W0C
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402038 (5-[[5-[4-[(1-isopropyl-4-piperidyl)methyl-methyl-a...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)N(C)CC1CCN(CC1)C(C)C Show InChI InChI=1S/C25H32N8O/c1-17(2)33-9-7-18(8-10-33)16-32(3)20-5-6-21(23(11-20)34-4)22-12-24(31-30-22)29-25-15-27-19(13-26)14-28-25/h5-6,11-12,14-15,17-18H,7-10,16H2,1-4H3,(H2,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0310	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402038 (5-[[5-[4-[(1-isopropyl-4-piperidyl)methyl-methyl-a...) Show SMILES COc1cc(ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1)N(C)CC1CCN(CC1)C(C)C Show InChI InChI=1S/C25H32N8O/c1-17(2)33-9-7-18(8-10-33)16-32(3)20-5-6-21(23(11-20)34-4)22-12-24(31-30-22)29-25-15-27-19(13-26)14-28-25/h5-6,11-12,14-15,17-18H,7-10,16H2,1-4H3,(H2,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0310	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401904 (5-[5-(4-{[(1-cyclopropane-carbonyl-piperidin-4-ylm...) Show SMILES COc1cc(CNCC2CCN(CC2)C(=O)C2CC2)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C26H30N8O2/c1-36-23-10-18(14-28-13-17-6-8-34(9-7-17)26(35)19-3-4-19)2-5-21(23)22-11-24(33-32-22)31-25-16-29-20(12-27)15-30-25/h2,5,10-11,15-17,19,28H,3-4,6-9,13-14H2,1H3,(H2,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0340	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM401904 (5-[5-(4-{[(1-cyclopropane-carbonyl-piperidin-4-ylm...) Show SMILES COc1cc(CNCC2CCN(CC2)C(=O)C2CC2)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C26H30N8O2/c1-36-23-10-18(14-28-13-17-6-8-34(9-7-17)26(35)19-3-4-19)2-5-21(23)22-11-24(33-32-22)31-25-16-29-20(12-27)15-30-25/h2,5,10-11,15-17,19,28H,3-4,6-9,13-14H2,1H3,(H2,30,31,32,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0340	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402028 (5-[[5-[4-[[(3S)-1-ethylpyrrolidin-3-yl]oxymethyl]-...) Show SMILES CCN1CC[C@@H](C1)OCc1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H25N7O2/c1-3-29-7-6-17(13-29)31-14-15-4-5-18(20(8-15)30-2)19-9-21(28-27-19)26-22-12-24-16(10-23)11-25-22/h4-5,8-9,11-12,17H,3,6-7,13-14H2,1-2H3,(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	0.0410	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402028 (5-[[5-[4-[[(3S)-1-ethylpyrrolidin-3-yl]oxymethyl]-...) Show SMILES CCN1CC[C@@H](C1)OCc1ccc(-c2cc(Nc3cnc(cn3)C#N)n[nH]2)c(OC)c1 Show InChI InChI=1S/C22H25N7O2/c1-3-29-7-6-17(13-29)31-14-15-4-5-18(20(8-15)30-2)19-9-21(28-27-19)26-22-12-24-16(10-23)11-25-22/h4-5,8-9,11-12,17H,3,6-7,13-14H2,1-2H3,(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	0.0410	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402000 (5-[[5-[4-[(1-ethyl-4-piperidyl)methylamino]-2-meth...) Show SMILES CCN1CCC(CNc2ccc(-c3cc(Nc4cnc(cn4)C#N)n[nH]3)c(OC)c2)CC1 Show InChI InChI=1S/C23H28N8O/c1-3-31-8-6-16(7-9-31)13-25-17-4-5-19(21(10-17)32-2)20-11-22(30-29-20)28-23-15-26-18(12-24)14-27-23/h4-5,10-11,14-16,25H,3,6-9,13H2,1-2H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402000 (5-[[5-[4-[(1-ethyl-4-piperidyl)methylamino]-2-meth...) Show SMILES CCN1CCC(CNc2ccc(-c3cc(Nc4cnc(cn4)C#N)n[nH]3)c(OC)c2)CC1 Show InChI InChI=1S/C23H28N8O/c1-3-31-8-6-16(7-9-31)13-25-17-4-5-19(21(10-17)32-2)20-11-22(30-29-20)28-23-15-26-18(12-24)14-27-23/h4-5,10-11,14-16,25H,3,6-9,13H2,1-2H3,(H2,27,28,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.0430	n/a	n/a	n/a	n/a	n/a	n/a
SENTINEL ONCOLOGY LIMITED US Patent					Assay Description Base Reaction buffer: 20 mM Hepes (pH 7.5), 10 mM MgCl2, 1 mM EGTA, 0.02% Brij35, 0.02 mg/ml BSA, 0.1 mM Na3VO4, 2 mM DTT, 1% DMSO Required co...				US Patent US10973817 (2021) BindingDB Entry DOI: 10.7270/Q2K93BNS
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM402017 (5-[[5-[4-[[(2R)-1-isopropylpyrrolidin-2-yl]methoxy...) Show SMILES COc1cc(OC[C@H]2CCCN2C(C)C)ccc1-c1cc(Nc2cnc(cn2)C#N)n[nH]1 Show InChI InChI=1S/C23H27N7O2/c1-15(2)30-8-4-5-17(30)14-32-18-6-7-19(21(9-18)31-3)20-10-22(29-28-20)27-23-13-25-16(11-24)12-26-23/h6-7,9-10,12-13,15,17H,4-5,8,14H2,1-3H3,(H2,26,27,28,29)/t17-/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	0.0440	n/a	n/a	n/a	n/a	n/a	n/a
IRBM-MRL Rome					Assay Description Chk-1 Kinase Inhibiting ActivityThe compounds of the invention were tested for activity against Chk-1 kinase using the materials and protocols set ou...				J Med Chem 52: 5217-27 (2009) BindingDB Entry DOI: 10.7270/Q2NK3HCN
					More data for this Ligand-Target Pair

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