Compile Data Set for Download or QSAR

Found 3017 hits with Last Name = 'johnson' and Initial = 'f'   

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
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365698 (CHEMBL1958411) Show SMILES CN(C1CCCCC1)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H21N5O/c1-23(12-6-3-2-4-7-12)18-21-15(10-16(24)22-18)14-11-20-17-13(14)8-5-9-19-17/h5,8-12H,2-4,6-7H2,1H3,(H,19,20)(H,21,22,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365703 (CHEMBL1958417) Show SMILES CN1CCC(CC1)Nc1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C17H20N6O/c1-23-7-4-11(5-8-23)20-17-21-14(9-15(24)22-17)13-10-19-16-12(13)3-2-6-18-16/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H2,20,21,22,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365699 (CHEMBL1958412) Show SMILES O=c1cc(nc(Nc2ccccc2)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C17H13N5O/c23-15-9-14(13-10-19-16-12(13)7-4-8-18-16)21-17(22-15)20-11-5-2-1-3-6-11/h1-10H,(H,18,19)(H2,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365702 (CHEMBL1958416) Show SMILES O=c1cc(nc(NC2CCOCC2)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C16H17N5O2/c22-14-8-13(12-9-18-15-11(12)2-1-5-17-15)20-16(21-14)19-10-3-6-23-7-4-10/h1-2,5,8-10H,3-4,6-7H2,(H,17,18)(H2,19,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase [139-480,S378A,S381A,T450D,S473D] (Homo sapiens (Human))	BDBM15131 (5-indazolyl pyridine 3 | 5-{5-[(2S)-2-amino-3-(1H-...) Show SMILES Cc1n[nH]c2ccc(cc12)-c1cncc(OC[C@@H](N)Cc2c[nH]c3ccccc23)c1 |r| Show InChI InChI=1S/C24H23N5O/c1-15-22-10-16(6-7-24(22)29-28-15)17-9-20(13-26-11-17)30-14-19(25)8-18-12-27-23-5-3-2-4-21(18)23/h2-7,9-13,19,27H,8,14,25H2,1H3,(H,28,29)/t19-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.160	-55.3	n/a	n/a	n/a	n/a	n/a	7.5	22
Abbott Laboratories					Assay Description The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...				Bioorg Med Chem Lett 16: 3740-4 (2006) Article DOI: 10.1016/j.bmcl.2006.04.046 BindingDB Entry DOI: 10.7270/Q2ZP44C9
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365700 (CHEMBL1958414) Show SMILES COCCN(CCOC)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C17H21N5O3/c1-24-8-6-22(7-9-25-2)17-20-14(10-15(23)21-17)13-11-19-16-12(13)4-3-5-18-16/h3-5,10-11H,6-9H2,1-2H3,(H,18,19)(H,20,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365701 (CHEMBL1958415) Show SMILES O=c1cc(nc([nH]1)N1CCOCC1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C15H15N5O2/c21-13-8-12(11-9-17-14-10(11)2-1-3-16-14)18-15(19-13)20-4-6-22-7-5-20/h1-3,8-9H,4-7H2,(H,16,17)(H,18,19,21)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365706 (CHEMBL1958420) Show SMILES COC1CCN(CC1)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C17H19N5O2/c1-24-11-4-7-22(8-5-11)17-20-14(9-15(23)21-17)13-10-19-16-12(13)3-2-6-18-16/h2-3,6,9-11H,4-5,7-8H2,1H3,(H,18,19)(H,20,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522512 (CHEMBL4544916) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)-c2ccccc2)cc1 |(50.25,-14.86,;51.58,-15.64,;52.93,-14.88,;54.26,-15.66,;54.25,-17.21,;52.91,-17.98,;51.57,-17.19,;55.58,-17.99,;55.58,-19.52,;56.91,-20.29,;58.24,-19.52,;59.57,-20.29,;60.91,-19.52,;60.9,-17.99,;62.23,-17.21,;63.57,-17.98,;63.57,-19.53,;62.24,-20.3,;64.9,-20.29,;66.29,-19.53,;66.24,-17.99,;67.56,-17.2,;67.53,-15.67,;66.18,-14.92,;68.84,-14.88,;70.2,-15.63,;70.22,-17.17,;68.9,-17.96,;68.92,-19.5,;64.9,-17.21,;64.9,-15.67,;64.88,-21.83,;63.53,-22.57,;63.52,-24.11,;64.84,-24.9,;66.19,-24.14,;66.2,-22.6,;58.23,-17.98,;56.91,-17.22,)| Show InChI InChI=1S/C30H26Cl2N6O/c1-36-14-16-37(17-15-36)21-12-10-20(11-13-21)34-30-33-18-23-28(39)24(27-25(31)8-5-9-26(27)32)19-38(29(23)35-30)22-6-3-2-4-7-22/h2-13,18-19H,14-17H2,1H3,(H,33,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522506 (CHEMBL4562919) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(CC(C)(C)O)cc(-c2c(Cl)cccc2Cl)c3=O)cc1 |(26.21,-15.3,;27.53,-16.08,;28.88,-15.32,;30.21,-16.1,;30.2,-17.64,;28.86,-18.41,;27.53,-17.63,;31.54,-18.42,;31.53,-19.96,;32.86,-20.73,;34.19,-19.96,;35.53,-20.73,;36.86,-19.96,;36.85,-18.42,;38.18,-17.65,;39.52,-18.42,;39.52,-19.96,;38.19,-20.73,;40.85,-20.72,;40.83,-22.26,;42.15,-23.04,;42.91,-21.7,;43.69,-23.03,;42.14,-24.59,;42.24,-19.97,;42.19,-18.42,;43.51,-17.64,;43.48,-16.1,;42.13,-15.36,;44.8,-15.31,;46.15,-16.06,;46.17,-17.6,;44.85,-18.39,;44.87,-19.93,;40.85,-17.65,;40.86,-16.1,;34.19,-18.42,;32.86,-17.66,)| Show InChI InChI=1S/C28H30Cl2N6O2/c1-28(2,38)17-36-16-21(24-22(29)5-4-6-23(24)30)25(37)20-15-31-27(33-26(20)36)32-18-7-9-19(10-8-18)35-13-11-34(3)12-14-35/h4-10,15-16,38H,11-14,17H2,1-3H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522503 (CHEMBL4454675) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n(cc(-c3c(Cl)cccc3Cl)c4=O)C3CC3)ccc2C2(CC2)C1 |(5.84,-44.42,;7.17,-43.65,;8.5,-44.42,;9.83,-43.65,;11.16,-44.42,;12.49,-43.65,;13.82,-44.42,;15.16,-43.65,;15.15,-42.12,;16.48,-41.34,;17.82,-42.11,;17.82,-43.65,;16.49,-44.42,;19.15,-44.41,;20.54,-43.66,;20.49,-42.12,;21.81,-41.33,;21.78,-39.79,;20.43,-39.05,;23.09,-39,;24.45,-39.75,;24.47,-41.29,;23.15,-42.08,;23.16,-43.62,;19.15,-41.34,;19.15,-39.8,;19.13,-45.96,;18.35,-47.28,;19.89,-47.3,;12.48,-42.11,;11.15,-41.35,;9.83,-42.11,;8.5,-41.34,;7.73,-40,;9.27,-40,;7.17,-42.11,)| Show InChI InChI=1S/C28H25Cl2N5O/c1-34-13-16-11-17(5-8-21(16)28(15-34)9-10-28)32-27-31-12-19-25(36)20(24-22(29)3-2-4-23(24)30)14-35(18-6-7-18)26(19)33-27/h2-5,8,11-12,14,18H,6-7,9-10,13,15H2,1H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365705 (CHEMBL1958419) Show SMILES OC1CCN(CC1)c1nc(cc(=O)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C16H17N5O2/c22-10-3-6-21(7-4-10)16-19-13(8-14(23)20-16)12-9-18-15-11(12)2-1-5-17-15/h1-2,5,8-10,22H,3-4,6-7H2,(H,17,18)(H,19,20,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522508 (CHEMBL4441166) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n(C)cc(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(28.22,-32.33,;29.56,-31.56,;30.89,-32.33,;32.21,-31.56,;33.54,-32.33,;34.87,-31.56,;36.21,-32.33,;37.54,-31.56,;37.53,-30.03,;38.86,-29.25,;40.2,-30.02,;40.2,-31.56,;38.87,-32.33,;41.53,-32.33,;41.51,-33.87,;42.92,-31.57,;42.87,-30.03,;44.19,-29.24,;44.16,-27.7,;42.81,-26.96,;45.48,-26.91,;46.83,-27.66,;46.85,-29.21,;45.53,-29.99,;45.55,-31.53,;41.53,-29.25,;41.54,-27.71,;34.87,-30.02,;33.54,-29.26,;32.21,-30.02,;30.89,-29.25,;30.11,-27.91,;31.66,-27.91,;29.56,-30.02,)| Show InChI InChI=1S/C26H23Cl2N5O/c1-32-12-15-10-16(6-7-19(15)26(14-32)8-9-26)30-25-29-11-17-23(34)18(13-33(2)24(17)31-25)22-20(27)4-3-5-21(22)28/h3-7,10-11,13H,8-9,12,14H2,1-2H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365704 (CHEMBL1958418) Show SMILES O=c1cc(nc([nH]1)-c1ccccc1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C17H12N4O/c22-15-9-14(13-10-19-17-12(13)7-4-8-18-17)20-16(21-15)11-5-2-1-3-6-11/h1-10H,(H,18,19)(H,20,21,22)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50365695 (CHEMBL1958408) Show SMILES O=c1cc(cc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H20N4O/c23-17-10-12(15-11-20-18-14(15)7-4-8-19-18)9-16(22-17)21-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,19,20)(H2,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522514 (CHEMBL4554796) Show SMILES CCn1cc(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc4c(CN(C)CC44CC4)c3)nc12 |(66.21,-33.89,;64.88,-33.1,;64.9,-31.56,;66.3,-30.81,;66.25,-29.26,;67.57,-28.47,;67.53,-26.94,;66.19,-26.2,;68.85,-26.15,;70.21,-26.9,;70.23,-28.44,;68.9,-29.23,;68.92,-30.77,;64.91,-28.48,;64.91,-26.94,;63.58,-29.25,;62.23,-28.49,;60.91,-29.26,;60.91,-30.79,;59.58,-31.56,;58.25,-30.8,;58.24,-29.25,;56.91,-28.49,;55.59,-29.26,;55.59,-30.8,;54.26,-31.57,;52.93,-30.79,;51.6,-31.56,;52.93,-29.26,;54.26,-28.49,;53.48,-27.15,;55.03,-27.15,;56.91,-31.56,;62.25,-31.57,;63.57,-30.8,)| Show InChI InChI=1S/C27H25Cl2N5O/c1-3-34-14-19(23-21(28)5-4-6-22(23)29)24(35)18-12-30-26(32-25(18)34)31-17-7-8-20-16(11-17)13-33(2)15-27(20)9-10-27/h4-8,11-12,14H,3,9-10,13,15H2,1-2H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522509 (CHEMBL4444364) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)c(C=C)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(49.96,-42.86,;51.29,-42.09,;52.62,-42.86,;53.95,-42.09,;55.28,-42.86,;56.61,-42.09,;57.94,-42.86,;59.28,-42.09,;59.27,-40.56,;60.59,-39.78,;61.94,-40.55,;61.94,-42.09,;60.61,-42.86,;63.27,-42.86,;63.25,-44.4,;64.57,-45.18,;64.66,-42.1,;64.61,-40.56,;65.93,-39.77,;65.9,-38.24,;64.55,-37.49,;67.21,-37.44,;68.57,-38.19,;68.59,-39.74,;67.27,-40.52,;67.28,-42.06,;63.27,-39.78,;63.27,-38.24,;56.6,-40.55,;55.27,-39.79,;53.95,-40.55,;52.62,-39.78,;51.84,-38.45,;53.39,-38.44,;51.29,-40.55,)| Show InChI InChI=1S/C27H23Cl2N5O/c1-3-16-14-34(24-21(28)5-4-6-22(24)29)25(35)19-12-30-26(32-23(16)19)31-18-7-8-20-17(11-18)13-33(2)15-27(20)9-10-27/h3-8,11-12,14H,1,9-10,13,15H2,2H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522511 (CHEMBL4443172) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(C)cc(-c2c(Cl)cccc2Cl)c3=O)cc1 |(23.23,-1.98,;24.56,-2.76,;25.91,-2,;27.23,-2.78,;27.23,-4.32,;25.89,-5.1,;24.55,-4.31,;28.56,-5.1,;28.56,-6.64,;29.89,-7.41,;31.22,-6.64,;32.55,-7.41,;33.89,-6.64,;33.88,-5.11,;35.2,-4.33,;36.55,-5.1,;36.54,-6.64,;35.22,-7.41,;37.87,-7.4,;37.86,-8.94,;39.27,-6.65,;39.22,-5.11,;40.54,-4.32,;40.51,-2.78,;39.16,-2.04,;41.82,-1.99,;43.18,-2.74,;43.2,-4.28,;41.87,-5.07,;41.89,-6.61,;37.88,-4.33,;37.88,-2.79,;31.21,-5.1,;29.88,-4.34,)| Show InChI InChI=1S/C25H24Cl2N6O/c1-31-10-12-33(13-11-31)17-8-6-16(7-9-17)29-25-28-14-18-23(34)19(15-32(2)24(18)30-25)22-20(26)4-3-5-21(22)27/h3-9,14-15H,10-13H2,1-2H3,(H,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522502 (CHEMBL4529353) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)c(CO)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(6.36,-54.94,;7.7,-54.17,;9.03,-54.94,;10.35,-54.17,;11.68,-54.94,;13.01,-54.17,;14.35,-54.94,;15.68,-54.17,;15.67,-52.64,;17,-51.86,;18.35,-52.63,;18.34,-54.17,;17.01,-54.94,;19.67,-54.94,;19.65,-56.48,;18.31,-57.23,;21.07,-54.18,;21.02,-52.64,;22.34,-51.85,;22.31,-50.31,;20.96,-49.57,;23.62,-49.52,;24.98,-50.27,;25,-51.82,;23.68,-52.6,;23.69,-54.14,;19.68,-51.86,;19.68,-50.32,;13.01,-52.63,;11.68,-51.87,;10.35,-52.63,;9.03,-51.86,;8.25,-50.52,;9.8,-50.52,;7.7,-52.63,)| Show InChI InChI=1S/C26H23Cl2N5O2/c1-32-11-15-9-17(5-6-19(15)26(14-32)7-8-26)30-25-29-10-18-22(31-25)16(13-34)12-33(24(18)35)23-20(27)3-2-4-21(23)28/h2-6,9-10,12,34H,7-8,11,13-14H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365693 (CHEMBL1958406) Show SMILES O=c1nc(nc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C16H18N6O/c23-16-21-14(12-9-18-13-11(12)7-4-8-17-13)20-15(22-16)19-10-5-2-1-3-6-10/h4,7-10H,1-3,5-6H2,(H,17,18)(H2,19,20,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Gastrin/cholecystokinin type B receptor (Homo sapiens (Human))	BDBM21147 ((3S)-3-[(2S)-2-[(2S)-2-{2-[(2S)-2-[(2S)-2-[(3S)-3-...) Show SMILES CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(O)(=O)=O)cc1)NC(=O)[C@@H](N)CC(O)=O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O Show InChI InChI=1S/C49H62N10O16S3/c1-76-18-16-34(55-47(69)37(58-44(66)32(50)23-41(61)62)21-28-12-14-30(15-13-28)75-78(72,73)74)45(67)53-26-40(60)54-38(22-29-25-52-33-11-7-6-10-31(29)33)48(70)56-35(17-19-77-2)46(68)59-39(24-42(63)64)49(71)57-36(43(51)65)20-27-8-4-3-5-9-27/h3-15,25,32,34-39,52H,16-24,26,50H2,1-2H3,(H2,51,65)(H,53,67)(H,54,60)(H,55,69)(H,56,70)(H,57,71)(H,58,66)(H,59,68)(H,61,62)(H,63,64)(H,72,73,74)/t32-,34-,35-,36-,37-,38-,39-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Wellcome Research and Development Curated by PDSP Ki Database									J Med Chem 40: 2706-25 (1997) Article DOI: 10.1021/jm970265x BindingDB Entry DOI: 10.7270/Q27M06F9
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387945 (CHEMBL2058927 | US9283222, 511) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cnccn1 Show InChI InChI=1S/C23H24FN7O2/c24-18-4-3-15(13-19-21-16(2-1-5-27-21)22(32)29-28-19)12-17(18)23(33)31-10-8-30(9-11-31)20-14-25-6-7-26-20/h3-4,6-7,12,14,27H,1-2,5,8-11,13H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185854 (US9163007, 185) Show SMILES CN(C)c1ccc(cc1)-c1c(nnn1Cc1ccccc1)-c1ccc2[nH]nc(N)c2c1 Show InChI InChI=1S/C24H23N7/c1-30(2)19-11-8-17(9-12-19)23-22(18-10-13-21-20(14-18)24(25)28-26-21)27-29-31(23)15-16-6-4-3-5-7-16/h3-14H,15H2,1-2H3,(H3,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-3 (Homo sapiens (Human))	BDBM35048 (benzothienopyrimidinone deriv., 20c) Show SMILES O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccc(O)cc2)C1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-14-4-1-12(2-5-14)13-3-6-17-16(9-13)19-20(28-17)21(27)23-18(22-19)11-24-8-7-15(26)10-24/h1-6,9,15,25-26H,7-8,10-11H2,(H,22,23,27)/t15-/m0/s1	KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.400	-53.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Abbott Laboratories					Assay Description In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...				J Med Chem 52: 6621-36 (2009) Article DOI: 10.1021/jm900943h BindingDB Entry DOI: 10.7270/Q27P8WQW
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50388878 (CHEMBL1999931 | US9163007, 73) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(17-9-5-2-6-10-17)24-22-19-13-18(11-12-20(19)25-27-22)21-15-29(28-26-21)14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,24,25,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.400	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387946 (CHEMBL2058928 | US9283222, 536) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ncccn1 Show InChI InChI=1S/C23H24FN7O2/c24-18-5-4-15(14-19-20-16(3-1-6-25-20)21(32)29-28-19)13-17(18)22(33)30-9-11-31(12-10-30)23-26-7-2-8-27-23/h2,4-5,7-8,13,25H,1,3,6,9-12,14H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185901 (US9163007, 408) Show SMILES Cc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C23H18FN5/c1-15-20-13-18(9-12-21(20)26-25-15)22-23(17-7-10-19(24)11-8-17)29(28-27-22)14-16-5-3-2-4-6-16/h2-13H,14H2,1H3,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.428	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185899 (US9163007, 406) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1cccs1 Show InChI InChI=1S/C20H16N6S/c21-20-15-11-14(8-9-16(15)22-24-20)18-19(17-7-4-10-27-17)26(25-23-18)12-13-5-2-1-3-6-13/h1-11H,12H2,(H3,21,22,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185888 (US9163007, 395) Show SMILES Fc1cccc(c1)C(=O)Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1 Show InChI InChI=1S/C23H17FN6O/c24-18-8-4-7-17(11-18)23(31)25-22-19-12-16(9-10-20(19)26-28-22)21-14-30(29-27-21)13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H2,25,26,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.5	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522513 (CHEMBL4526423) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)c(C)cn(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(29.1,-43.48,;30.44,-42.71,;31.77,-43.49,;33.1,-42.71,;34.43,-43.48,;35.76,-42.71,;37.09,-43.48,;38.43,-42.71,;38.42,-41.18,;39.75,-40.4,;41.09,-41.17,;41.09,-42.72,;39.76,-43.49,;42.42,-43.48,;42.4,-45.02,;43.81,-42.72,;43.76,-41.18,;45.09,-40.39,;45.05,-38.86,;43.7,-38.11,;46.37,-38.06,;47.73,-38.81,;47.75,-40.36,;46.42,-41.15,;46.44,-42.69,;42.43,-40.4,;42.43,-38.86,;35.75,-41.17,;34.42,-40.41,;33.1,-41.18,;31.77,-40.4,;30.99,-39.07,;32.54,-39.06,;30.44,-41.17,)| Show InChI InChI=1S/C26H23Cl2N5O/c1-15-12-33(23-20(27)4-3-5-21(23)28)24(34)18-11-29-25(31-22(15)18)30-17-6-7-19-16(10-17)13-32(2)14-26(19)8-9-26/h3-7,10-12H,8-9,13-14H2,1-2H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365692 (CHEMBL1958404) Show SMILES O=c1cc(nc(NC2CCCCC2)[nH]1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C17H19N5O/c23-16-9-15(11-6-7-14-12(8-11)10-18-22-14)20-17(21-16)19-13-4-2-1-3-5-13/h6-10,13H,1-5H2,(H,18,22)(H2,19,20,21,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase/Protein DBF4 homolog A (Homo sapiens (Human))	BDBM50365695 (CHEMBL1958408) Show SMILES O=c1cc(cc(NC2CCCCC2)[nH]1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H20N4O/c23-17-10-12(15-11-20-18-14(15)7-4-8-19-18)9-16(22-17)21-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,19,20)(H2,21,22,23)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human CDC7/DBF4 expressed using baculovirus expression system assessed as [33P]gamma-ATP incorporation into substrate after 60 mins by ...				Bioorg Med Chem Lett 22: 1940-3 (2012) Article DOI: 10.1016/j.bmcl.2012.01.041 BindingDB Entry DOI: 10.7270/Q2DR2W0F
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522507 (CHEMBL4470852) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)[nH]cc(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(6.16,-33.18,;7.5,-32.41,;8.83,-33.19,;10.16,-32.42,;11.48,-33.18,;12.81,-32.42,;14.15,-33.19,;15.48,-32.41,;15.48,-30.88,;16.8,-30.11,;18.15,-30.88,;18.14,-32.42,;16.81,-33.19,;19.47,-33.18,;20.87,-32.43,;20.81,-30.88,;22.14,-30.09,;22.1,-28.56,;20.75,-27.82,;23.42,-27.77,;24.77,-28.52,;24.8,-30.06,;23.47,-30.85,;23.49,-32.39,;19.48,-30.1,;19.48,-28.56,;12.81,-30.87,;11.48,-30.11,;10.16,-30.88,;8.83,-30.11,;8.05,-28.77,;9.6,-28.77,;7.5,-30.88,)| Show InChI InChI=1S/C25H21Cl2N5O/c1-32-12-14-9-15(5-6-18(14)25(13-32)7-8-25)30-24-29-11-17-22(33)16(10-28-23(17)31-24)21-19(26)3-2-4-20(21)27/h2-6,9-11H,7-8,12-13H2,1H3,(H2,28,29,30,31,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522510 (CHEMBL4447769) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)c(cn(-c3c(Cl)cccc3Cl)c4=O)C(F)F)ccc2C2(CC2)C1 |(29.38,-54.4,;30.72,-53.63,;32.05,-54.4,;33.38,-53.63,;34.7,-54.4,;36.03,-53.63,;37.37,-54.4,;38.7,-53.63,;38.7,-52.1,;40.02,-51.32,;41.37,-52.09,;41.36,-53.63,;40.03,-54.4,;42.69,-54.4,;44.09,-53.64,;44.04,-52.1,;45.36,-51.31,;45.32,-49.77,;43.98,-49.03,;46.64,-48.98,;48,-49.73,;48.02,-51.27,;46.69,-52.06,;46.71,-53.6,;42.7,-51.32,;42.7,-49.78,;42.67,-55.94,;44,-56.72,;41.33,-56.69,;36.03,-52.09,;34.7,-51.33,;33.38,-52.09,;32.05,-51.32,;31.27,-49.98,;32.82,-49.98,;30.72,-52.09,)| Show InChI InChI=1S/C26H21Cl2F2N5O/c1-34-11-14-9-15(5-6-18(14)26(13-34)7-8-26)32-25-31-10-16-21(33-25)17(23(29)30)12-35(24(16)36)22-19(27)3-2-4-20(22)28/h2-6,9-10,12,23H,7-8,11,13H2,1H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM35042 (benzothienopyrimidinone deriv., 18b) Show SMILES CN(C)Cc1nc2c3cc(ccc3sc2c(=O)[nH]1)-c1ccc(OCCCN)cc1 Show InChI InChI=1S/C22H24N4O2S/c1-26(2)13-19-24-20-17-12-15(6-9-18(17)29-21(20)22(27)25-19)14-4-7-16(8-5-14)28-11-3-10-23/h4-9,12H,3,10-11,13,23H2,1-2H3,(H,24,25,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.600	-52.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Abbott Laboratories					Assay Description In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...				J Med Chem 52: 6621-36 (2009) Article DOI: 10.1021/jm900943h BindingDB Entry DOI: 10.7270/Q27P8WQW
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50388878 (CHEMBL1999931 | US9163007, 73) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1cn(Cc2ccccc2)nn1)c1ccccc1 Show InChI InChI=1S/C23H18N6O/c30-23(17-9-5-2-6-10-17)24-22-19-13-18(11-12-20(19)25-27-22)21-15-29(28-26-21)14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H2,24,25,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	0.600	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185839 (US9163007, 87) Show SMILES C(c1ccccc1)n1nnc(c1-c1ccccc1)-c1ccc2[nH]ncc2c1 Show InChI InChI=1S/C22H17N5/c1-3-7-16(8-4-1)15-27-22(17-9-5-2-6-10-17)21(25-26-27)18-11-12-20-19(13-18)14-23-24-20/h1-14H,15H2,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.601	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387914 (CHEMBL2058682 | US9283222, 507) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1N1C(=O)CCCC1=O Show InChI InChI=1S/C19H19FN4O3/c20-13-7-6-11(10-15(13)24-16(25)4-1-5-17(24)26)9-14-18-12(3-2-8-21-18)19(27)23-22-14/h6-7,10,21H,1-5,8-9H2,(H,23,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM35048 (benzothienopyrimidinone deriv., 20c) Show SMILES O[C@H]1CCN(Cc2nc3c4cc(ccc4sc3c(=O)[nH]2)-c2ccc(O)cc2)C1 |r| Show InChI InChI=1S/C21H19N3O3S/c25-14-4-1-12(2-5-14)13-3-6-17-16(9-13)19-20(28-17)21(27)23-18(22-19)11-24-8-7-15(26)10-24/h1-6,9,15,25-26H,7-8,10-11H2,(H,22,23,27)/t15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.700	-52.3	n/a	n/a	n/a	n/a	n/a	n/a	25
Abbott Laboratories					Assay Description In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...				J Med Chem 52: 6621-36 (2009) Article DOI: 10.1021/jm900943h BindingDB Entry DOI: 10.7270/Q27P8WQW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387941 (CHEMBL2058922 | US9283222, 556) Show SMILES CS(=O)(=O)N1CCN(CC1)C(=O)c1cc(Cc2n[nH]c(=O)c3CCCNc23)ccc1F Show InChI InChI=1S/C20H24FN5O4S/c1-31(29,30)26-9-7-25(8-10-26)20(28)15-11-13(4-5-16(15)21)12-17-18-14(3-2-6-22-18)19(27)24-23-17/h4-5,11,22H,2-3,6-10,12H2,1H3,(H,24,27)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Enoyl-[acyl-carrier-protein] reductase [NADH] (Mycobacterium tuberculosis (strain ATCC 25618 / H3...)	BDBM16300 (INH-NAD Adduct | ISONICOTINIC-ACETYL-NICOTINAMIDE-...) Show SMILES NC(=O)C1=CN(C=C[C@@H]1C(=O)c1ccncc1)[C@@H]1O[C@H](CO[P@](O)(=O)O[P@](O)(=O)OC[C@H]2O[C@H]([C@H](O)[C@@H]2O)n2cnc3c(N)ncnc23)[C@@H](O)[C@H]1O |r,c:6,t:3| Show InChI InChI=1S/C27H32N8O15P2/c28-23-17-25(32-10-31-23)35(11-33-17)27-22(40)20(38)16(49-27)9-47-52(44,45)50-51(42,43)46-8-15-19(37)21(39)26(48-15)34-6-3-13(14(7-34)24(29)41)18(36)12-1-4-30-5-2-12/h1-7,10-11,13,15-16,19-22,26-27,37-40H,8-9H2,(H2,29,41)(H,42,43)(H,44,45)(H2,28,31,32)/t13-,15+,16+,19+,20+,21+,22+,26+,27+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	KEGG MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.75	-51.6	n/a	n/a	n/a	n/a	n/a	6.8	22
SUNY Stony Brook					Assay Description Inhibition constants (Ki) were calculated by determining the kcat and Km (DDCoA) values at several fixed inhibitor concentrations. The inhibition dat...				ACS Chem Biol 1: 43-53 (2006) Article DOI: 10.1021/cb0500042 BindingDB Entry DOI: 10.7270/Q2K35RWK
					More data for this Ligand-Target Pair				3D Structure (crystal)
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50300018 (2-(4-(Oxazol-5-yl)phenyl)-1H-benzo[d]imidazole-4-c...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cnco1 Show InChI InChI=1S/C17H12N4O2/c18-16(22)12-2-1-3-13-15(12)21-17(20-13)11-6-4-10(5-7-11)14-8-19-9-23-14/h1-9H,(H2,18,22)(H,20,21)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 by scintillation counting				J Med Chem 52: 6803-13 (2009) Article DOI: 10.1021/jm900697r BindingDB Entry DOI: 10.7270/Q2DN4548
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185858 (US9163007, 198) Show SMILES O=C(Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C29H22N6O/c36-29(22-14-8-3-9-15-22)30-28-24-18-23(16-17-25(24)31-33-28)26-27(21-12-6-2-7-13-21)35(34-32-26)19-20-10-4-1-5-11-20/h1-18H,19H2,(H2,30,31,33,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 6 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 us...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM35043 (benzothienopyrimidinone deriv., 19a) Show SMILES Oc1cccc(NCc2nc3c4cc(Br)ccc4sc3c(=O)[nH]2)c1 Show InChI InChI=1S/C17H12BrN3O2S/c18-9-4-5-13-12(6-9)15-16(24-13)17(23)21-14(20-15)8-19-10-2-1-3-11(22)7-10/h1-7,19,22H,8H2,(H,20,21,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Abbott Laboratories					Assay Description In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...				J Med Chem 52: 6621-36 (2009) Article DOI: 10.1021/jm900943h BindingDB Entry DOI: 10.7270/Q27P8WQW
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM185846 (US9163007, 151) Show SMILES Nc1n[nH]c2ccc(cc12)-c1nnn(Cc2ccccc2)c1-c1ccc(F)cc1 Show InChI InChI=1S/C22H17FN6/c23-17-9-6-15(7-10-17)21-20(16-8-11-19-18(12-16)22(24)27-25-19)26-28-29(21)13-14-4-2-1-3-5-14/h1-12H,13H2,(H3,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
AbbVie Inc. US Patent					Assay Description 11 data point. Cdc7 kinase assays were carried out in 25 mM HEPES, pH 7.5, 1 mM DTT, 10 mM MgCl2, 100 μM Na3VO4, and 0.075 mg/ml Triton X-100 u...				US Patent US9163007 (2015) BindingDB Entry DOI: 10.7270/Q2KW5DTG
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM35050 (benzothienopyrimidinone deriv., 20e) Show SMILES O[C@H]1CCN(Cc2nc3c4cc(\C=C\C5CC5)ccc4sc3c(=O)[nH]2)C1 |r| Show InChI InChI=1S/C20H21N3O2S/c24-14-7-8-23(10-14)11-17-21-18-15-9-13(4-3-12-1-2-12)5-6-16(15)26-19(18)20(25)22-17/h3-6,9,12,14,24H,1-2,7-8,10-11H2,(H,21,22,25)/b4-3+/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.800	-51.9	n/a	n/a	n/a	n/a	n/a	n/a	25
Abbott Laboratories					Assay Description In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...				J Med Chem 52: 6621-36 (2009) Article DOI: 10.1021/jm900943h BindingDB Entry DOI: 10.7270/Q27P8WQW
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387944 (CHEMBL2058926 | US9283222, 545) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1ccccn1 Show InChI InChI=1S/C24H25FN6O2/c25-19-7-6-16(15-20-22-17(4-3-9-27-22)23(32)29-28-20)14-18(19)24(33)31-12-10-30(11-13-31)21-5-1-2-8-26-21/h1-2,5-8,14,27H,3-4,9-13,15H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50387948 (CHEMBL2058925 | US9283222, 695) Show SMILES Fc1ccc(Cc2n[nH]c(=O)c3CCCNc23)cc1C(=O)N1CCN(CC1)c1cccnc1 Show InChI InChI=1S/C24H25FN6O2/c25-20-6-5-16(14-21-22-18(4-2-8-27-22)23(32)29-28-21)13-19(20)24(33)31-11-9-30(10-12-31)17-3-1-7-26-15-17/h1,3,5-7,13,15,27H,2,4,8-12,14H2,(H,29,32)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of PARP1 using [3H]NAD+ after 1 hr by scintillation counting				Bioorg Med Chem 20: 4635-45 (2012) Article DOI: 10.1016/j.bmc.2012.06.021 BindingDB Entry DOI: 10.7270/Q2PN96P7
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-2 (Homo sapiens (Human))	BDBM35050 (benzothienopyrimidinone deriv., 20e) Show SMILES O[C@H]1CCN(Cc2nc3c4cc(\C=C\C5CC5)ccc4sc3c(=O)[nH]2)C1 |r| Show InChI InChI=1S/C20H21N3O2S/c24-14-7-8-23(10-14)11-17-21-18-15-9-13(4-3-12-1-2-12)5-6-16(15)26-19(18)20(25)22-17/h3-6,9,12,14,24H,1-2,7-8,10-11H2,(H,21,22,25)/b4-3+/t14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.900	-51.6	n/a	n/a	n/a	n/a	n/a	n/a	25
Abbott Laboratories					Assay Description In 384-well v-bottom polypropylene plates, compound (2% DMSO) was mixed with Pim kinase and peptide substrate, followed by immediate initiation with ...				J Med Chem 52: 6621-36 (2009) Article DOI: 10.1021/jm900943h BindingDB Entry DOI: 10.7270/Q27P8WQW
					More data for this Ligand-Target Pair
Cell division cycle 7-related protein kinase (Homo sapiens (Human))	BDBM50426461 (CHEMBL2322677) Show SMILES Clc1cc(cc(NC2CCCCC2)n1)-c1c[nH]c2ncccc12 Show InChI InChI=1S/C18H19ClN4/c19-16-9-12(15-11-21-18-14(15)7-4-8-20-18)10-17(23-16)22-13-5-2-1-3-6-13/h4,7-11,13H,1-3,5-6H2,(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human Cdc7 using biotin-C6linker-TPSDSLIYDDGLS as substrate after 1 hr				ACS Med Chem Lett 4: 211-5 (2013) Article DOI: 10.1021/ml300348c BindingDB Entry DOI: 10.7270/Q2DR2WT6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 3017 total )  |  Next  |  Last  >>

Jump to: