Compile Data Set for Download or QSAR

Found 2811 hits with Last Name = 'nan' 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
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
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
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))	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))	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
Polycomb protein EED (Homo sapiens (Human))	BDBM223987 (A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.400	-53.6	n/a	n/a	n/a	n/a	n/a	7.5	25
AbbVie Inc.					Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...				Nat Chem Biol 13: 389-395 (2017) Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50229783 (6-[(2-(4-(2,3-dichlorophenyl)piperazin-1-yl)ethyl)...) Show SMILES CCCN(CCN1CCN(CC1)c1cccc(Cl)c1Cl)C1CCc2c(O)cccc2C1 |w:20.21| Show InChI InChI=1S/C25H33Cl2N3O/c1-2-11-29(20-9-10-21-19(18-20)5-3-8-24(21)31)15-12-28-13-16-30(17-14-28)23-7-4-6-22(26)25(23)27/h3-8,20,31H,2,9-18H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50229776 (6-[(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)(pr...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1OC)C1CCc2c(O)cccc2C1 |w:20.21| Show InChI InChI=1S/C26H37N3O2/c1-3-13-28(22-11-12-23-21(20-22)7-6-9-25(23)30)17-14-27-15-18-29(19-16-27)24-8-4-5-10-26(24)31-2/h4-10,22,30H,3,11-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50229776 (6-[(2-(4-(2-methoxyphenyl)piperazin-1-yl)ethyl)(pr...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1OC)C1CCc2c(O)cccc2C1 |w:20.21| Show InChI InChI=1S/C26H37N3O2/c1-3-13-28(22-11-12-23-21(20-22)7-6-9-25(23)30)17-14-27-15-18-29(19-16-27)24-8-4-5-10-26(24)31-2/h4-10,22,30H,3,11-20H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM223987 (A-395 (5) | rac-(3R,4S)-1-(7-fluoro-2,3-dihydro-1H...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r,w:24.26| Show InChI InChI=1S/C26H35FN4O2S/c1-28(2)25-18-30(24-12-9-20-5-4-6-23(27)26(20)24)17-22(25)19-7-10-21(11-8-19)29-13-15-31(16-14-29)34(3,32)33/h4-8,10-11,22,24-25H,9,12-18H2,1-3H3/t22-,24?,25+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.5	-53.1	n/a	n/a	n/a	n/a	n/a	7.5	25
AbbVie Inc.					Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...				Nat Chem Biol 13: 389-395 (2017) Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD
					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
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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50109927 ((+)-7-[(4-(4-phenylpiperazin-1-yl)butyl)(propyl)am...) Show SMILES CCCN(CCCCN1CCN(CC1)c1ccccc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C27H39N3O/c1-2-14-29(26-12-10-23-11-13-27(31)22-24(23)21-26)16-7-6-15-28-17-19-30(20-18-28)25-8-4-3-5-9-25/h3-5,8-9,11,13,22,26,31H,2,6-7,10,12,14-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50109927 ((+)-7-[(4-(4-phenylpiperazin-1-yl)butyl)(propyl)am...) Show SMILES CCCN(CCCCN1CCN(CC1)c1ccccc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C27H39N3O/c1-2-14-29(26-12-10-23-11-13-27(31)22-24(23)21-26)16-7-6-15-28-17-19-30(20-18-28)25-8-4-3-5-9-25/h3-5,8-9,11,13,22,26,31H,2,6-7,10,12,14-21H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50109931 ((+)-7-{[4-(4-phenylpiperazin-1-yl)butyl]prop-2-yny...) Show SMILES Oc1ccc2CCC(Cc2c1)N(CCCCN1CCN(CC1)c1ccccc1)CC#C Show InChI InChI=1S/C27H35N3O/c1-2-14-29(26-12-10-23-11-13-27(31)22-24(23)21-26)16-7-6-15-28-17-19-30(20-18-28)25-8-4-3-5-9-25/h1,3-5,8-9,11,13,22,26,31H,6-7,10,12,14-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50109931 ((+)-7-{[4-(4-phenylpiperazin-1-yl)butyl]prop-2-yny...) Show SMILES Oc1ccc2CCC(Cc2c1)N(CCCCN1CCN(CC1)c1ccccc1)CC#C Show InChI InChI=1S/C27H35N3O/c1-2-14-29(26-12-10-23-11-13-27(31)22-24(23)21-26)16-7-6-15-28-17-19-30(20-18-28)25-8-4-3-5-9-25/h1,3-5,8-9,11,13,22,26,31H,6-7,10,12,14-21H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.760	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50229775 ((+)-6-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)C1CCc2c(O)cccc2C1 |w:18.19| Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50229775 ((+)-6-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)C1CCc2c(O)cccc2C1 |w:18.19| Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50229775 ((+)-6-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)am...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)C1CCc2c(O)cccc2C1 |w:18.19| Show InChI InChI=1S/C25H35N3O/c1-2-13-27(23-11-12-24-21(20-23)7-6-10-25(24)29)17-14-26-15-18-28(19-16-26)22-8-4-3-5-9-22/h3-10,23,29H,2,11-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.820	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2 (Homo sapiens (Human))	BDBM50143073 ((S)-2-{3-[(S)-1-Carboxy-3-(1H-tetrazol-5-yl)-propy...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCc1nnn[nH]1)C(O)=O)C(O)=O Show InChI InChI=1S/C11H16N6O7/c18-8(19)4-2-6(10(22)23)13-11(24)12-5(9(20)21)1-3-7-14-16-17-15-7/h5-6H,1-4H2,(H,18,19)(H,20,21)(H,22,23)(H2,12,13,24)(H,14,15,16,17)/t5-,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay				J Med Chem 47: 1729-38 (2004) Article DOI: 10.1021/jm0306226 BindingDB Entry DOI: 10.7270/Q2DZ07RR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50043651 (CHEMBL3355536) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(43.1,-16.05,;41.77,-15.27,;41.78,-13.73,;40.45,-12.96,;40.45,-11.43,;39.12,-10.66,;39.12,-9.12,;37.79,-8.35,;37.79,-6.8,;36.46,-6.03,;35.13,-6.8,;35.12,-8.34,;36.45,-9.11,;33.79,-9.1,;33.47,-10.59,;31.95,-10.74,;31.34,-9.35,;32.47,-8.34,;32.47,-6.79,;31.14,-6.02,;31.13,-4.47,;32.46,-3.69,;29.8,-3.71,;28.47,-4.47,;28.46,-6.02,;29.8,-6.79,;29.8,-8.33,;33.79,-6.02,;33.79,-4.48,;37.78,-11.42,;37.77,-12.96,;39.11,-13.73,;39.1,-15.25,;38,-16.34,;37.61,-14.85,;40.44,-16.04,)| Show InChI InChI=1S/C26H21Cl2N7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of GST-tagged human Wee1				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50043652 (CHEMBL3355537) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C2(CC2)C1 |(56.61,-16.41,;55.29,-15.63,;55.3,-14.08,;53.96,-13.32,;53.96,-11.78,;52.63,-11.01,;52.63,-9.47,;51.3,-8.71,;51.3,-7.16,;49.97,-6.39,;48.64,-7.15,;48.63,-8.69,;49.96,-9.47,;47.3,-9.46,;46.98,-10.95,;45.46,-11.1,;44.85,-9.71,;45.98,-8.69,;45.98,-7.14,;44.65,-6.37,;43.31,-7.15,;43.31,-8.69,;41.98,-6.37,;41.98,-4.83,;43.31,-4.06,;44.65,-4.82,;45.97,-4.05,;47.3,-6.37,;47.31,-4.83,;51.29,-11.78,;51.29,-13.32,;52.62,-14.08,;52.62,-15.61,;51.52,-16.7,;51.12,-15.21,;53.95,-16.4,)| Show InChI InChI=1S/C26H21ClFN7O/c1-33-13-15-11-16(5-6-18(15)26(14-33)7-8-26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)3-2-4-20(21)28/h2-6,9-12H,7-8,13-14H2,1H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of GST-tagged human Wee1				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50300015 (2-(4-(Pyridin-3-yl)phenyl)-1H-benzo[d]imidazole-4-...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1cccnc1 Show InChI InChI=1S/C19H14N4O/c20-18(24)15-4-1-5-16-17(15)23-19(22-16)13-8-6-12(7-9-13)14-3-2-10-21-11-14/h1-11H,(H2,20,24)(H,22,23)	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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+ by top count scintillation counting				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 1 (Homo sapiens (Human))	BDBM50315779 ((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	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+ by top count scintillation counting				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50300014 (2-(4-(Pyridin-4-yl)phenyl)-1H-benzimidazole-4-carb...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)-c1ccncc1 Show InChI InChI=1S/C19H14N4O/c20-18(24)15-2-1-3-16-17(15)23-19(22-16)14-6-4-12(5-7-14)13-8-10-21-11-9-13/h1-11H,(H2,20,24)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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 PARP2 by top count scintillation counting				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522504 (CHEMBL4551299) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)C2CC2)cc1 |(45.73,-3.07,;47.06,-3.85,;48.41,-3.09,;49.73,-3.87,;49.73,-5.41,;48.39,-6.18,;47.05,-5.4,;51.06,-6.19,;51.06,-7.73,;52.39,-8.5,;53.72,-7.73,;55.05,-8.5,;56.38,-7.73,;56.38,-6.19,;57.7,-5.42,;59.05,-6.19,;59.04,-7.73,;57.72,-8.5,;60.37,-8.49,;61.77,-7.74,;61.71,-6.19,;63.04,-5.4,;63,-3.87,;61.65,-3.13,;64.32,-3.08,;65.67,-3.83,;65.69,-5.37,;64.37,-6.16,;64.39,-7.7,;60.38,-5.41,;60.38,-3.87,;60.35,-10.03,;59.58,-11.36,;61.12,-11.38,;53.71,-6.19,;52.38,-5.43,)| Show InChI InChI=1S/C27H26Cl2N6O/c1-33-11-13-34(14-12-33)18-7-5-17(6-8-18)31-27-30-15-20-25(36)21(24-22(28)3-2-4-23(24)29)16-35(19-9-10-19)26(20)32-27/h2-8,15-16,19H,9-14H2,1H3,(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	1	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
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM217112 (US9302989, 407) Show SMILES O=C(Nc1ccc(cc1)C1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1 Show InChI InChI=1S/C27H27N3O2/c31-26(22-6-2-1-3-7-22)29-16-14-21(15-17-29)20-10-12-25(13-11-20)28-27(32)30-18-23-8-4-5-9-24(23)19-30/h1-13,21H,14-19H2,(H,28,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50315783 (2-(4-Piperidin-4-ylphenyl)-1H-benzimidazole-4-carb...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1)C1CCNCC1 Show InChI InChI=1S/C19H20N4O/c20-18(24)15-2-1-3-16-17(15)23-19(22-16)14-6-4-12(5-7-14)13-8-10-21-11-9-13/h1-7,13,21H,8-11H2,(H2,20,24)(H,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	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 PARP2 by top count scintillation counting				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50043653 (CHEMBL3355538) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(Cl)cccc3Cl)c4=O)ccc2C(C)(C)C1 |(70,-15.67,;68.68,-14.89,;68.68,-13.34,;67.35,-12.58,;67.35,-11.04,;66.02,-10.28,;66.02,-8.73,;64.69,-7.97,;64.69,-6.42,;63.36,-5.65,;62.03,-6.41,;62.02,-7.95,;63.35,-8.73,;60.69,-8.72,;60.37,-10.21,;58.85,-10.36,;58.23,-8.96,;59.37,-7.95,;59.37,-6.4,;58.04,-5.63,;58.03,-4.08,;59.36,-3.31,;56.69,-3.32,;55.36,-4.09,;55.36,-5.63,;56.7,-6.41,;56.7,-7.95,;60.69,-5.63,;60.69,-4.09,;64.68,-11.04,;64.67,-12.58,;66.01,-13.34,;66,-14.87,;64.9,-15.96,;64.51,-14.47,;67.34,-15.66,)| Show InChI InChI=1S/C26H23Cl2N7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of GST-tagged human Wee1				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50043654 (CHEMBL3355539) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1 |(16.1,-31.75,;14.78,-30.97,;14.79,-29.43,;13.45,-28.67,;13.45,-27.13,;12.12,-26.36,;12.13,-24.82,;10.79,-24.05,;10.79,-22.5,;9.46,-21.73,;8.13,-22.5,;8.12,-24.04,;9.45,-24.81,;6.79,-24.8,;6.47,-26.3,;4.95,-26.45,;4.34,-25.05,;5.47,-24.04,;5.47,-22.49,;4.14,-21.72,;2.8,-22.49,;2.8,-24.03,;1.47,-21.72,;1.47,-20.17,;2.8,-19.41,;4.14,-20.17,;5.46,-19.4,;6.79,-21.72,;6.8,-20.18,;10.78,-27.13,;10.78,-28.67,;12.12,-29.43,;12.11,-30.96,;11.01,-32.05,;10.62,-30.55,;13.44,-31.74,)| Show InChI InChI=1S/C26H23ClFN7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of GST-tagged human Wee1				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM223986 ((3R,4S)-1-[(1S)-7-fluoroindan-1-yl]-N,N-dimethyl-4...) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1cn(C)c2ccccc12)[C@H]1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C24H28FN3/c1-26(2)23-15-28(22-12-11-16-7-6-9-20(25)24(16)22)14-19(23)18-13-27(3)21-10-5-4-8-17(18)21/h4-10,13,19,22-23H,11-12,14-15H2,1-3H3/t19-,22+,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1	-51.4	n/a	n/a	n/a	n/a	n/a	7.5	25
AbbVie Inc.					Assay Description For the assay, compounds were dispensed in assay-ready plates using a three-fold serial dilution from 50 μM to ~850 pM using an Echo 550 Acousti...				Nat Chem Biol 13: 389-395 (2017) Article DOI: 10.1038/nchembio.2306 BindingDB Entry DOI: 10.7270/Q2NG4PGD
					More data for this Ligand-Target Pair				3D Structure (crystal)
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50043648 (CHEMBL3355533) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C(C)(C)C1 |(14.17,-58.52,;12.84,-57.74,;12.85,-56.2,;11.52,-55.43,;11.52,-53.9,;10.19,-53.13,;10.19,-51.59,;8.86,-50.82,;8.86,-49.27,;7.53,-48.5,;6.2,-49.27,;6.19,-50.81,;7.52,-51.58,;4.86,-51.57,;4.54,-53.07,;3.02,-53.22,;2.41,-51.82,;3.55,-50.8,;3.54,-49.26,;2.21,-48.49,;.87,-49.26,;-.47,-48.49,;-.47,-46.95,;.87,-46.18,;2.2,-46.94,;3.53,-46.16,;4.87,-48.49,;4.87,-46.95,;8.85,-53.89,;8.85,-55.43,;10.18,-56.2,;10.17,-57.73,;9.08,-58.81,;8.68,-57.32,;11.51,-58.51,)| Show InChI InChI=1S/C26H24ClN7O/c1-26(2)15-32(3)14-16-12-17(8-9-19(16)26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-7-5-4-6-20(21)27/h4-13H,14-15H2,1-3H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of GST-tagged human Wee1				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50043649 (CHEMBL3355534) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n2ccnc2n(-c2c(Cl)cccc2Cl)c3=O)cc1 |(12.64,-19.06,;12.65,-17.52,;11.32,-16.75,;11.33,-15.22,;12.66,-14.45,;14,-15.22,;13.99,-16.76,;12.66,-12.91,;11.33,-12.14,;11.34,-10.6,;12.67,-9.84,;12.68,-8.3,;11.35,-7.53,;11.35,-5.98,;10.02,-5.21,;8.69,-5.98,;8.68,-7.52,;10.01,-8.29,;7.35,-8.28,;7.02,-9.77,;5.51,-9.92,;4.89,-8.53,;6.04,-7.51,;6.03,-5.97,;4.7,-5.2,;4.69,-3.65,;6.02,-2.87,;3.35,-2.89,;2.02,-3.65,;2.02,-5.2,;3.36,-5.97,;3.36,-7.51,;7.36,-5.2,;7.36,-3.66,;14,-10.61,;14.01,-12.14,)| Show InChI InChI=1S/C25H22Cl2N8O/c1-32-11-13-33(14-12-32)17-7-5-16(6-8-17)30-24-29-15-18-22(31-24)34-10-9-28-25(34)35(23(18)36)21-19(26)3-2-4-20(21)27/h2-10,15H,11-14H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	<1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of GST-tagged human Wee1				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50043654 (CHEMBL3355539) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3c(F)cccc3Cl)c4=O)ccc2C(C)(C)C1 |(16.1,-31.75,;14.78,-30.97,;14.79,-29.43,;13.45,-28.67,;13.45,-27.13,;12.12,-26.36,;12.13,-24.82,;10.79,-24.05,;10.79,-22.5,;9.46,-21.73,;8.13,-22.5,;8.12,-24.04,;9.45,-24.81,;6.79,-24.8,;6.47,-26.3,;4.95,-26.45,;4.34,-25.05,;5.47,-24.04,;5.47,-22.49,;4.14,-21.72,;2.8,-22.49,;2.8,-24.03,;1.47,-21.72,;1.47,-20.17,;2.8,-19.41,;4.14,-20.17,;5.46,-19.4,;6.79,-21.72,;6.8,-20.18,;10.78,-27.13,;10.78,-28.67,;12.12,-29.43,;12.11,-30.96,;11.01,-32.05,;10.62,-30.55,;13.44,-31.74,)| Show InChI InChI=1S/C26H23ClFN7O/c1-26(2)14-33(3)13-15-11-16(7-8-18(15)26)31-24-30-12-17-22(32-24)34-10-9-29-25(34)35(23(17)36)21-19(27)5-4-6-20(21)28/h4-12H,13-14H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	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))	BDBM50043646 (CHEMBL3355531) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)ccc2C2(CC2)C1 |(56.69,-46.11,;55.36,-45.33,;55.36,-43.79,;54.03,-43.02,;54.03,-41.48,;52.7,-40.72,;52.71,-39.18,;51.37,-38.41,;51.38,-36.86,;50.05,-36.09,;48.72,-36.85,;48.71,-38.4,;50.04,-39.17,;47.38,-39.16,;47.05,-40.65,;45.53,-40.81,;44.92,-39.41,;46.06,-38.39,;46.06,-36.84,;44.72,-36.08,;43.38,-36.85,;42.05,-36.08,;42.05,-34.53,;43.38,-33.76,;44.72,-34.53,;46.05,-33.75,;47.38,-36.08,;47.38,-34.54,;51.36,-41.48,;51.36,-43.02,;52.7,-43.79,;52.69,-45.31,;51.59,-46.4,;51.2,-44.91,;54.02,-46.1,)| Show InChI InChI=1S/C26H22ClN7O/c1-32-14-16-12-17(6-7-19(16)26(15-32)8-9-26)30-24-29-13-18-22(31-24)33-11-10-28-25(33)34(23(18)35)21-5-3-2-4-20(21)27/h2-7,10-13H,8-9,14-15H2,1H3,(H,29,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of GST-tagged human Wee1				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522505 (CHEMBL4469678) Show SMILES CN1CCN(CC1)c1ccc(Nc2ncc3c(n2)n(cc(-c2c(Cl)cccc2Cl)c3=O)C2COC2)cc1 |(68.83,-3.52,;70.16,-4.3,;71.5,-3.54,;72.83,-4.32,;72.82,-5.87,;71.48,-6.64,;70.15,-5.85,;74.16,-6.64,;74.16,-8.18,;75.48,-8.95,;76.81,-8.18,;78.15,-8.95,;79.48,-8.18,;79.47,-6.65,;80.8,-5.87,;82.15,-6.64,;82.14,-8.19,;80.81,-8.95,;83.47,-8.95,;84.87,-8.19,;84.81,-6.65,;86.14,-5.86,;86.1,-4.33,;84.76,-3.58,;87.42,-3.53,;88.78,-4.28,;88.8,-5.83,;87.47,-6.61,;87.49,-8.16,;83.48,-5.87,;83.48,-4.33,;83.45,-10.49,;82.35,-11.56,;83.43,-12.66,;84.53,-11.58,;76.81,-6.64,;75.48,-5.88,)| Show InChI InChI=1S/C27H26Cl2N6O2/c1-33-9-11-34(12-10-33)18-7-5-17(6-8-18)31-27-30-13-20-25(36)21(24-22(28)3-2-4-23(24)29)14-35(26(20)32-27)19-15-37-16-19/h2-8,13-14,19H,9-12,15-16H2,1H3,(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	1.30	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50229778 (6-[(2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino]...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)C1CCc2cc(O)c(O)cc2C1 |w:18.19| Show InChI InChI=1S/C25H35N3O2/c1-2-10-27(23-9-8-20-18-24(29)25(30)19-21(20)17-23)14-11-26-12-15-28(16-13-26)22-6-4-3-5-7-22/h3-7,18-19,23,29-30H,2,8-17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
N-acetylated-alpha-linked acidic dipeptidase 2 (Homo sapiens (Human))	BDBM17659 ((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...) Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Illinois at Chicago Curated by ChEMBL					Assay Description In vitro inhibitory activity against human Glutamate carboxypeptidase II by using fluorescent assay				J Med Chem 47: 1729-38 (2004) Article DOI: 10.1021/jm0306226 BindingDB Entry DOI: 10.7270/Q2DZ07RR
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254198 (CHEMBL4060799) Show SMILES CN1CCN(CC1)C(C)(C)C(=O)N1CCC(CC1)c1ccc(NC(=O)N2Cc3ccccc3C2)cc1 Show InChI InChI=1S/C29H39N5O2/c1-29(2,34-18-16-31(3)17-19-34)27(35)32-14-12-23(13-15-32)22-8-10-26(11-9-22)30-28(36)33-20-24-6-4-5-7-25(24)21-33/h4-11,23H,12-21H2,1-3H3,(H,30,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Poly [ADP-ribose] polymerase 2 (Homo sapiens (Human))	BDBM50315779 ((S)-2-(2-Fluoro-4-(pyrrolidin-2-yl)phenyl)-1H-benz...) Show SMILES NC(=O)c1cccc2[nH]c(nc12)-c1ccc(cc1F)[C@@H]1CCCN1 |r| Show InChI InChI=1S/C18H17FN4O/c19-13-9-10(14-5-2-8-21-14)6-7-11(13)18-22-15-4-1-3-12(17(20)24)16(15)23-18/h1,3-4,6-7,9,14,21H,2,5,8H2,(H2,20,24)(H,22,23)/t14-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	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 PARP2 by top count scintillation counting				J Med Chem 53: 3142-53 (2010) Article DOI: 10.1021/jm901775y BindingDB Entry DOI: 10.7270/Q2N879XR
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50109926 (7-((2-(4-phenylpiperazin-1-yl)ethyl)(propyl)amino)...) Show SMILES CCCN(CCN1CCN(CC1)c1ccccc1)C1CCc2ccc(O)cc2C1 Show InChI InChI=1S/C25H35N3O/c1-2-12-27(24-10-8-21-9-11-25(29)20-22(21)19-24)16-13-26-14-17-28(18-15-26)23-6-4-3-5-7-23/h3-7,9,11,20,24,29H,2,8,10,12-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Wayne State University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human cloned dopamine D3 receptor expressed in HEK293 cells				J Med Chem 51: 101-17 (2008) Article DOI: 10.1021/jm070860r BindingDB Entry DOI: 10.7270/Q2VQ32FD
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50043643 (CHEMBL3355528) Show SMILES CN1CCc2ccc(Nc3ncc4c(n3)n3ccnc3n(-c3ccccc3Cl)c4=O)cc2C1 |(14.28,-46.36,;12.95,-45.58,;11.61,-46.35,;10.29,-45.57,;10.29,-44.04,;8.96,-43.27,;8.96,-41.73,;10.3,-40.97,;10.3,-39.43,;8.97,-38.65,;8.97,-37.11,;7.64,-36.34,;6.31,-37.1,;6.3,-38.64,;7.63,-39.42,;4.97,-39.41,;4.65,-40.9,;3.13,-41.05,;2.52,-39.66,;3.66,-38.64,;3.65,-37.09,;2.32,-36.33,;.98,-37.1,;-.36,-36.33,;-.36,-34.78,;.98,-34.01,;2.31,-34.78,;3.64,-34,;4.98,-36.33,;4.98,-34.79,;11.63,-41.73,;11.63,-43.27,;12.96,-44.04,)| Show InChI InChI=1S/C24H20ClN7O/c1-30-10-8-15-6-7-17(12-16(15)14-30)28-23-27-13-18-21(29-23)31-11-9-26-24(31)32(22(18)33)20-5-3-2-4-19(20)25/h2-7,9,11-13H,8,10,14H2,1H3,(H,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Curated by ChEMBL					Assay Description Inhibition of GST-tagged human Wee1				ACS Med Chem Lett 6: 58-62 (2015) Article DOI: 10.1021/ml5002745 BindingDB Entry DOI: 10.7270/Q2NZ8972
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM217057 (US9302989, 349) Show SMILES O=C(NCCCCC1CCN(CC1)C(=O)c1ccccc1)N1Cc2ccccc2C1 Show InChI InChI=1S/C25H31N3O2/c29-24(21-9-2-1-3-10-21)27-16-13-20(14-17-27)8-6-7-15-26-25(30)28-18-22-11-4-5-12-23(22)19-28/h1-5,9-12,20H,6-8,13-19H2,(H,26,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254199 (CHEMBL4083505) Show SMILES Clc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C1CCN(CC1)C(=O)[C@@H]1CCCO1 |r| Show InChI InChI=1S/C25H28ClN3O3/c26-21-6-3-19-15-29(16-20(19)14-21)25(31)27-22-7-4-17(5-8-22)18-9-11-28(12-10-18)24(30)23-2-1-13-32-23/h3-8,14,18,23H,1-2,9-13,15-16H2,(H,27,31)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair
Prostaglandin D2 receptor (Mus musculus)	BDBM50152513 (CHEMBL361457 | [2-Methyl-1-(4-phenethyloxy-benzoyl...) Show SMILES Cc1cc2c(CC(O)=O)cccc2n1C(=O)c1ccc(OCCc2ccccc2)cc1 Show InChI InChI=1S/C26H23NO4/c1-18-16-23-21(17-25(28)29)8-5-9-24(23)27(18)26(30)20-10-12-22(13-11-20)31-15-14-19-6-3-2-4-7-19/h2-13,16H,14-15,17H2,1H3,(H,28,29)	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Minase Research Institute Curated by ChEMBL					Assay Description Ability to inhibit the binding of [3H]-PGD-2 radioligand to membranes of CHO cells stably expressing mouse Prostaglandin D2 receptor				Bioorg Med Chem Lett 14: 4891-5 (2004) Article DOI: 10.1016/j.bmcl.2004.07.039 BindingDB Entry DOI: 10.7270/Q2BK1BTV
					More data for this Ligand-Target Pair
Nicotinamide phosphoribosyltransferase (Homo sapiens (Human))	BDBM50254216 (CHEMBL4096471) Show SMILES Fc1ccc2CN(Cc2c1)C(=O)Nc1ccc(cc1)C1CN(C1)C(=O)c1ccccc1 Show InChI InChI=1S/C25H22FN3O2/c26-22-9-6-19-13-29(14-20(19)12-22)25(31)27-23-10-7-17(8-11-23)21-15-28(16-21)24(30)18-4-2-1-3-5-18/h1-12,21H,13-16H2,(H,27,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc, 1 North Waukegan Rd., North Chicago, IL 60064, United States. Electronic address: mike.curtin@abbvie.com. Curated by ChEMBL					Assay Description Inhibition of C-terminal His-tagged human recombinant NAMPT using FK866 or isoindoline urea-based Oregon green (488) probe incubated for 3 hrs by TR-...				Bioorg Med Chem Lett 27: 3317-3325 (2017) Article DOI: 10.1016/j.bmcl.2017.06.018 BindingDB Entry DOI: 10.7270/Q2D22123
					More data for this Ligand-Target Pair

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