Compile Data Set for Download or QSAR

Found 934 hits with Last Name = 'shoemaker' and Initial = 'r'   

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
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))	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
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
Mu-type opioid receptor (Rattus norvegicus (rat))	BDBM29568 (CHEMBL2 | PRAZOSIN | PRAZOSIN HYDROCHLORIDE | [3H]...) Show SMILES COc1cc2nc(nc(N)c2cc1OC)N1CCN(CC1)C(=O)c1ccco1 Show InChI InChI=1S/C19H21N5O4/c1-26-15-10-12-13(11-16(15)27-2)21-19(22-17(12)20)24-7-5-23(6-8-24)18(25)14-4-3-9-28-14/h3-4,9-11H,5-8H2,1-2H3,(H2,20,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Chiron Corporation Curated by ChEMBL					Assay Description Compound was evaluated for binding affinity towards mu-specific opiate receptor from combinatorial peptoid library				J Med Chem 37: 2678-85 (1994) BindingDB Entry DOI: 10.7270/Q2P26ZSP
					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
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))	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))	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))	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))	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
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
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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21445 (4-(4-{[2-(2-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2Cl)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-33(30-55-35-11-4-3-5-12-35)44-40-21-20-36(28-41(40)49(51)52)56(53,54)45-42(50)31-16-18-34(19-17-31)48-26-24-47(25-27-48)29-32-10-6-7-13-37(32)38-14-8-9-15-39(38)43/h3-21,28,33,44H,22-27,29-30H2,1-2H3,(H,45,50)/t33-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	<60	n/a	56	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21449 (N-Benylpiperazine derivative, 23q | N-[(4-{[(2R)-4...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(F)cc2)CC1 |r| Show InChI InChI=1S/C42H45FN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	<60	n/a	130	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21450 (N-Benylpiperazine derivative, 23r | N-[(4-{[(2R)-4...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(cc2)C(F)(F)F)CC1 |r| Show InChI InChI=1S/C43H45F3N6O5S2/c1-49(2)23-22-35(30-58-37-9-4-3-5-10-37)47-40-21-20-38(28-41(40)52(54)55)59(56,57)48-42(53)32-14-18-36(19-15-32)51-26-24-50(25-27-51)29-33-8-6-7-11-39(33)31-12-16-34(17-13-31)43(44,45)46/h3-21,28,35,47H,22-27,29-30H2,1-2H3,(H,48,53)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	<60	n/a	40	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21420 (4-Alkyl-4-methoxypiperidine derivative, 8l | 4-{4-...) Show SMILES COC1(Cc2ccccc2Br)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C38H44BrN5O6S2/c1-42(2)22-19-30(27-51-32-10-5-4-6-11-32)40-35-18-17-33(25-36(35)44(46)47)52(48,49)41-37(45)28-13-15-31(16-14-28)43-23-20-38(50-3,21-24-43)26-29-9-7-8-12-34(29)39/h4-18,25,30,40H,19-24,26-27H2,1-3H3,(H,41,45)/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	<60	n/a	100	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21421 (4-Alkyl-4-methoxypiperidine derivative, 8m | N-[(4...) Show SMILES COC1(Cc2ccccc2-c2ccccc2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C44H49N5O6S2/c1-47(2)27-24-36(32-56-38-15-8-5-9-16-38)45-41-23-22-39(30-42(41)49(51)52)57(53,54)46-43(50)34-18-20-37(21-19-34)48-28-25-44(55-3,26-29-48)31-35-14-10-11-17-40(35)33-12-6-4-7-13-33/h4-23,30,36,45H,24-29,31-32H2,1-3H3,(H,46,50)/t36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	<60	n/a	35	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21436 (N-Benylpiperazine derivative, 23d | N-[(4-{[(2R)-4...) Show SMILES CSc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C37H44N6O5S3/c1-40(2)20-19-30(27-50-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)51(47,48)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)49-3/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	<60	n/a	95	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21439 (N-Benylpiperazine derivative, 23g | N-[(4-{[(2R)-4...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2N2CCOCC2)CC1 |r| Show InChI InChI=1S/C40H49N7O6S2/c1-43(2)19-18-33(30-54-35-9-4-3-5-10-35)41-37-17-16-36(28-39(37)47(49)50)55(51,52)42-40(48)31-12-14-34(15-13-31)45-22-20-44(21-23-45)29-32-8-6-7-11-38(32)46-24-26-53-27-25-46/h3-17,28,33,41H,18-27,29-30H2,1-2H3,(H,42,48)/t33-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	<60	n/a	430	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21447 (4-(4-{[2-(4-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccc(Cl)cc2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)23-22-35(30-55-37-9-4-3-5-10-37)44-40-21-20-38(28-41(40)49(51)52)56(53,54)45-42(50)32-14-18-36(19-15-32)48-26-24-47(25-27-48)29-33-8-6-7-11-39(33)31-12-16-34(43)17-13-31/h3-21,28,35,44H,22-27,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	<0.5	n/a	<60	n/a	30	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21444 (N-Benylpiperazine derivative, 23m | N-[(4-{[(2R)-4...) Show SMILES COc1ccc(cc1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C43H48N6O6S2/c1-46(2)24-23-35(31-56-38-10-5-4-6-11-38)44-41-22-21-39(29-42(41)49(51)52)57(53,54)45-43(50)33-13-17-36(18-14-33)48-27-25-47(26-28-48)30-34-9-7-8-12-40(34)32-15-19-37(55-3)20-16-32/h4-22,29,35,44H,23-28,30-31H2,1-3H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	<60	n/a	30	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21441 (N-Benylpiperazine derivative, 23i | N-[(4-{[(2R)-4...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2ccccc2)CC1 |r| Show InChI InChI=1S/C42H46N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h3-22,29,35,43H,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	<60	n/a	18	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21440 (4-{4-[(2-cyclohexylphenyl)methyl]piperazin-1-yl}-N...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C2CCCCC2)CC1 |r| Show InChI InChI=1S/C42H52N6O5S2/c1-45(2)24-23-35(31-54-37-14-7-4-8-15-37)43-40-22-21-38(29-41(40)48(50)51)55(52,53)44-42(49)33-17-19-36(20-18-33)47-27-25-46(26-28-47)30-34-13-9-10-16-39(34)32-11-5-3-6-12-32/h4,7-10,13-22,29,32,35,43H,3,5-6,11-12,23-28,30-31H2,1-2H3,(H,44,49)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	61	n/a	340	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21414 (4-Alkyl-4-methoxypiperidine derivative, 8f | 4-{4-...) Show SMILES COC1(Cc2ccccc2Cl)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C38H44ClN5O6S2/c1-42(2)22-19-30(27-51-32-10-5-4-6-11-32)40-35-18-17-33(25-36(35)44(46)47)52(48,49)41-37(45)28-13-15-31(16-14-28)43-23-20-38(50-3,21-24-43)26-29-9-7-8-12-34(29)39/h4-18,25,30,40H,19-24,26-27H2,1-3H3,(H,41,45)/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	62	n/a	230	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21418 (4-Alkyl-4-methoxypiperidine derivative, 8j | N-[(4...) Show SMILES COC1(Cc2ccccc2C)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C39H47N5O6S2/c1-29-10-8-9-11-31(29)27-39(50-4)21-24-43(25-22-39)33-16-14-30(15-17-33)38(45)41-52(48,49)35-18-19-36(37(26-35)44(46)47)40-32(20-23-42(2)3)28-51-34-12-6-5-7-13-34/h5-19,26,32,40H,20-25,27-28H2,1-4H3,(H,41,45)/t32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	71	n/a	150	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21435 (N-Benylpiperazine derivative, 23c | N-[(4-{[(2R)-4...) Show SMILES COc1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C37H44N6O6S2/c1-40(2)20-19-30(27-50-32-10-5-4-6-11-32)38-34-18-17-33(25-35(34)43(45)46)51(47,48)39-37(44)28-13-15-31(16-14-28)42-23-21-41(22-24-42)26-29-9-7-8-12-36(29)49-3/h4-18,25,30,38H,19-24,26-27H2,1-3H3,(H,39,44)/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	80	n/a	390	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21442 (N-Benylpiperazine derivative, 23k | N-[(4-{[(2R)-4...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccnc2)CC1 |r| Show InChI InChI=1S/C41H45N7O5S2/c1-45(2)22-20-34(30-54-36-11-4-3-5-12-36)43-39-19-18-37(27-40(39)48(50)51)55(52,53)44-41(49)31-14-16-35(17-15-31)47-25-23-46(24-26-47)29-33-9-6-7-13-38(33)32-10-8-21-42-28-32/h3-19,21,27-28,34,43H,20,22-26,29-30H2,1-2H3,(H,44,49)/t34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	81	n/a	800	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21432 (4-Piperidinebenzylidene derivative, 10k | N-[(4-{[...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1-c1ccccc1 |r| Show InChI InChI=1S/C43H45N5O5S2/c1-46(2)26-25-36(31-54-38-14-7-4-8-15-38)44-41-22-21-39(30-42(41)48(50)51)55(52,53)45-43(49)34-17-19-37(20-18-34)47-27-23-32(24-28-47)29-35-13-9-10-16-40(35)33-11-5-3-6-12-33/h3-22,29-30,36,44H,23-28,31H2,1-2H3,(H,45,49)/t36-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	83	n/a	160	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21434 (N-Benylpiperazine derivative, 23j | N-[(4-{[(2R)-4...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2C(F)(F)F)CC1 |r| Show InChI InChI=1S/C37H41F3N6O5S2/c1-43(2)19-18-29(26-52-31-9-4-3-5-10-31)41-34-17-16-32(24-35(34)46(48)49)53(50,51)42-36(47)27-12-14-30(15-13-27)45-22-20-44(21-23-45)25-28-8-6-7-11-33(28)37(38,39)40/h3-17,24,29,41H,18-23,25-26H2,1-2H3,(H,42,47)/t29-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	85	n/a	390	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21446 (4-(4-{[2-(3-chlorophenyl)phenyl]methyl}piperazin-1...) Show SMILES CN(C)CC[C@H](CSc1ccccc1)Nc1ccc(cc1[N+]([O-])=O)S(=O)(=O)NC(=O)c1ccc(cc1)N1CCN(Cc2ccccc2-c2cccc(Cl)c2)CC1 |r| Show InChI InChI=1S/C42H45ClN6O5S2/c1-46(2)22-21-35(30-55-37-12-4-3-5-13-37)44-40-20-19-38(28-41(40)49(51)52)56(53,54)45-42(50)31-15-17-36(18-16-31)48-25-23-47(24-26-48)29-33-9-6-7-14-39(33)32-10-8-11-34(43)27-32/h3-20,27-28,35,44H,21-26,29-30H2,1-2H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	140	n/a	180	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21415 (4-Alkyl-4-methoxypiperidine derivative, 8g | 4-{4-...) Show SMILES COC1(Cc2cccc(Cl)c2)CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C38H44ClN5O6S2/c1-42(2)21-18-31(27-51-33-10-5-4-6-11-33)40-35-17-16-34(25-36(35)44(46)47)52(48,49)41-37(45)29-12-14-32(15-13-29)43-22-19-38(50-3,20-23-43)26-28-8-7-9-30(39)24-28/h4-17,24-25,31,40H,18-23,26-27H2,1-3H3,(H,41,45)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	170	n/a	250	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21443 (N-Benylpiperazine derivative, 23l | N-[(4-{[(2R)-4...) Show SMILES COc1cccc(c1)-c1ccccc1CN1CCN(CC1)c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O |r| Show InChI InChI=1S/C43H48N6O6S2/c1-46(2)23-22-35(31-56-38-13-5-4-6-14-38)44-41-21-20-39(29-42(41)49(51)52)57(53,54)45-43(50)32-16-18-36(19-17-32)48-26-24-47(25-27-48)30-34-10-7-8-15-40(34)33-11-9-12-37(28-33)55-3/h4-21,28-29,35,44H,22-27,30-31H2,1-3H3,(H,45,50)/t35-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	n/a	178	n/a	380	n/a	n/a	n/a	n/a
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21426 (4-Piperidinebenzylidene derivative, 10e | N-[(4-{[...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C(F)(F)F |r| Show InChI InChI=1S/C38H40F3N5O5S2/c1-44(2)21-20-30(26-52-32-9-4-3-5-10-32)42-35-17-16-33(25-36(35)46(48)49)53(50,51)43-37(47)28-12-14-31(15-13-28)45-22-18-27(19-23-45)24-29-8-6-7-11-34(29)38(39,40)41/h3-17,24-25,30,42H,18-23,26H2,1-2H3,(H,43,47)/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	300	n/a	150	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21425 (4-Piperidinebenzylidene derivative, 10d | 4-{4-[(4...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(Cl)cc1 |r| Show InChI InChI=1S/C37H40ClN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	510	n/a	620	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21429 (4-Piperidinebenzylidene derivative, 10h | 4-{4-[(2...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1C#N |r| Show InChI InChI=1S/C38H40N6O5S2/c1-42(2)21-20-32(27-50-34-10-4-3-5-11-34)40-36-17-16-35(25-37(36)44(46)47)51(48,49)41-38(45)29-12-14-33(15-13-29)43-22-18-28(19-23-43)24-30-8-6-7-9-31(30)26-39/h3-17,24-25,32,40H,18-23,27H2,1-2H3,(H,41,45)/t32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	520	n/a	1.10E+3	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21424 (4-Piperidinebenzylidene derivative, 10c | 4-{4-[(2...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1Cl |r| Show InChI InChI=1S/C37H40ClN5O5S2/c1-41(2)21-20-30(26-49-32-9-4-3-5-10-32)39-35-17-16-33(25-36(35)43(45)46)50(47,48)40-37(44)28-12-14-31(15-13-28)42-22-18-27(19-23-42)24-29-8-6-7-11-34(29)38/h3-17,24-25,30,39H,18-23,26H2,1-2H3,(H,40,44)/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	700	n/a	350	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21423 (4-Piperidinebenzylidene derivative, 10b | N-[(4-{[...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccccc1F |r| Show InChI InChI=1S/C37H40FN5O5S2/c1-41(2)21-20-30(26-49-32-9-4-3-5-10-32)39-35-17-16-33(25-36(35)43(45)46)50(47,48)40-37(44)28-12-14-31(15-13-28)42-22-18-27(19-23-42)24-29-8-6-7-11-34(29)38/h3-17,24-25,30,39H,18-23,26H2,1-2H3,(H,40,44)/t30-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	750	n/a	250	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181875 (4-((R)-3-dimethylamino-1-phenylsulfanylmethylpropy...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN(C)C)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C39H47N5O7S2/c1-42(2)21-19-32(28-52-33-9-5-4-6-10-33)40-36-18-16-34(27-37(36)44(46)47)53(48,49)41-39(45)31-14-12-30(13-15-31)35-17-11-29(26-38(35)50-3)8-7-20-43-22-24-51-25-23-43/h4-6,9-18,26-27,32,40H,7-8,19-25,28H2,1-3H3,(H,41,45)/t32-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Binding affinity to Bcl-XL by fluorescence polarization assay				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
					More data for this Ligand-Target Pair
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM50181881 (CHEMBL370837 | N-[2'-methoxy-4'-(3-morpholin-4-ylp...) Show SMILES COc1cc(CCCN2CCOCC2)ccc1-c1ccc(cc1)C(=O)NS(=O)(=O)c1ccc(N[C@H](CCN2CCOCC2)CSc2ccccc2)c(c1)[N+]([O-])=O Show InChI InChI=1S/C41H49N5O8S2/c1-52-40-28-31(6-5-18-44-20-24-53-25-21-44)9-15-37(40)32-10-12-33(13-11-32)41(47)43-56(50,51)36-14-16-38(39(29-36)46(48)49)42-34(17-19-45-22-26-54-27-23-45)30-55-35-7-3-2-4-8-35/h2-4,7-16,28-29,34,42H,5-6,17-27,30H2,1H3,(H,43,47)/t34-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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 Binding affinity to Bcl-XL by fluorescence polarization assay				J Med Chem 49: 1165-81 (2006) Article DOI: 10.1021/jm050754u BindingDB Entry DOI: 10.7270/Q2VM4BT0
					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
Bcl-2-like protein 1 (Homo sapiens (Human))	BDBM21405 (4-Piperidinebenzylidene derivative, 10a | N-[(4-{[...) Show SMILES [#6]-[#7](-[#6])-[#6]-[#6]-[#6@H](-[#6]-[#16]-c1ccccc1)-[#7]-c1ccc(cc1-[#7+](-[#8-])=O)S(=O)(=O)[#7]-[#6](=O)-c1ccc(cc1)-[#7]-1-[#6]-[#6]\[#6](-[#6]-[#6]-1)=[#6]/c1ccc(F)cc1 |r| Show InChI InChI=1S/C37H40FN5O5S2/c1-41(2)21-20-31(26-49-33-6-4-3-5-7-33)39-35-17-16-34(25-36(35)43(45)46)50(47,48)40-37(44)29-10-14-32(15-11-29)42-22-18-28(19-23-42)24-27-8-12-30(38)13-9-27/h3-17,24-25,31,39H,18-23,26H2,1-2H3,(H,40,44)/t31-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.5	<-53.1	n/a	n/a	380	n/a	n/a	7.4	25
Abbott Laboratories					Assay Description The binding affinities (Ki) of compounds were determined using fluorescence polarization assays (FPA) that measure their ability to competitively dis...				J Med Chem 50: 641-62 (2007) Article DOI: 10.1021/jm061152t BindingDB Entry DOI: 10.7270/Q2V69GVV
					More data for this Ligand-Target Pair

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