Compile Data Set for Download or QSAR

Found 169 hits Enz. Inhib. hit(s) with all data for entry = 50027533   

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))	BDBM50245523 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C23H16ClN3O4/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)26-23(21)31)14-9-11(28)5-6-16(14)27(17)8-7-18(25)29/h1-6,9-10,28H,7-8H2,(H2,25,29)(H,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245387 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES Oc1ccc2n(CCC(=O)NS(=O)(=O)c3ccccc3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C29H20ClN3O6S/c30-21-9-5-4-8-18(21)19-15-23-25(27-26(19)28(36)31-29(27)37)20-14-16(34)10-11-22(20)33(23)13-12-24(35)32-40(38,39)17-6-2-1-3-7-17/h1-11,14-15,34H,12-13H2,(H,32,35)(H,31,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245496 (4-(2,6-Dichlorophenyl)-9-hydroxy-6-(3-hydroxypropy...) Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(23.53,-35.27,;24.56,-34.12,;24.08,-32.66,;25.11,-31.51,;24.63,-30.05,;23.16,-29.57,;21.82,-30.34,;20.49,-29.57,;20.49,-28.02,;19.16,-27.25,;21.82,-27.25,;23.16,-28.02,;24.63,-27.54,;25.26,-26.13,;24.64,-24.72,;23.13,-24.4,;25.78,-23.7,;27.11,-24.47,;28.52,-23.85,;26.79,-25.97,;27.71,-27.22,;27.08,-28.64,;25.54,-28.79,;29.23,-27.06,;30.14,-28.31,;29.51,-29.72,;31.67,-28.15,;32.3,-26.75,;31.38,-25.5,;29.86,-25.66,;29.84,-24.12,)| Show InChI InChI=1S/C23H16Cl2N2O4/c24-14-3-1-4-15(25)18(14)13-10-17-19(21-20(13)22(30)26-23(21)31)12-9-11(29)5-6-16(12)27(17)7-2-8-28/h1,3-6,9-10,28-29H,2,7-8H2,(H,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.10	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245457 (4-(2,6-Dichlorophenyl)-9-hydroxy-6-(2-hydroxyethyl...) Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(20.53,-24.9,;20.05,-23.43,;21.08,-22.29,;20.6,-20.82,;19.13,-20.34,;17.8,-21.11,;16.46,-20.34,;16.46,-18.8,;15.13,-18.03,;17.79,-18.03,;19.13,-18.79,;20.6,-18.31,;21.23,-16.9,;20.61,-15.5,;19.1,-15.18,;21.75,-14.47,;23.08,-15.24,;24.49,-14.62,;22.76,-16.75,;23.68,-18,;23.05,-19.41,;21.51,-19.57,;25.2,-17.84,;26.11,-19.09,;25.48,-20.49,;27.64,-18.93,;28.27,-17.52,;27.35,-16.27,;25.83,-16.44,;25.81,-14.89,)| Show InChI InChI=1S/C22H14Cl2N2O4/c23-13-2-1-3-14(24)17(13)12-9-16-18(20-19(12)21(29)25-22(20)30)11-8-10(28)4-5-15(11)26(16)6-7-27/h1-5,8-9,27-28H,6-7H2,(H,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50232241 (4-(2-Chlorophenyl)-9-hydroxy-6-(3-hydroxypropyl)-p...) Show SMILES OCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C23H17ClN2O4/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)25-23(21)30)15-10-12(28)6-7-17(15)26(18)8-3-9-27/h1-2,4-7,10-11,27-28H,3,8-9H2,(H,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279633 (6-(2-(1H-1,2,3-triazol-1-ylsulfinyl)ethyl)-4-(2-ch...) Show SMILES Oc1ccc2n(CCS(=O)n3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C24H16ClN5O4S/c25-17-4-2-1-3-14(17)15-12-19-20(22-21(15)23(32)27-24(22)33)16-11-13(31)5-6-18(16)29(19)9-10-35(34)30-8-7-26-28-30/h1-8,11-12,31H,9-10H2,(H,27,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192371 (4-(2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]carbazol...) Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C20H11ClN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192414 (4-(3-amino-2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...) Show SMILES Nc1cccc(c1Cl)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C20H12ClN3O3/c21-18-9(2-1-3-12(18)22)10-7-14-15(17-16(10)19(26)24-20(17)27)11-6-8(25)4-5-13(11)23-14/h1-7,23,25H,22H2,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245386 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES CS(=O)(=O)NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C24H18ClN3O6S/c1-35(33,34)27-19(30)8-9-28-17-7-6-12(29)10-15(17)20-18(28)11-14(13-4-2-3-5-16(13)25)21-22(20)24(32)26-23(21)31/h2-7,10-11,29H,8-9H2,1H3,(H,27,30)(H,26,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245384 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C23H15ClN2O5/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(30)25-23(21)31)14-9-11(27)5-6-16(14)26(17)8-7-18(28)29/h1-6,9-10,27H,7-8H2,(H,28,29)(H,25,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12.9	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192422 (4-(2-iodophenyl)-9-hydroxypyrrolo[3,4-c]carbazole-...) Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1I Show InChI InChI=1S/C20H11IN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245341 (3-(4-(2,6-dichlorophenyl)-9-hydroxy-1,3-dioxo-2,3-...) Show SMILES CN(C)CCNC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1c(Cl)cccc1Cl |(18.95,-7.42,;19.98,-6.27,;19.49,-4.8,;21.48,-6.57,;22.51,-5.42,;24.02,-5.73,;25.04,-4.58,;26.55,-4.89,;24.55,-3.12,;25.57,-1.97,;25.09,-.51,;23.61,-.04,;22.27,-.81,;20.93,-.04,;20.94,1.51,;19.6,2.28,;22.26,2.28,;23.6,1.52,;25.07,2,;25.69,3.41,;25.05,4.81,;23.55,5.13,;26.19,5.85,;27.52,5.09,;28.93,5.72,;27.21,3.58,;28.14,2.34,;27.52,.93,;25.99,.76,;29.67,2.52,;30.58,1.28,;29.97,-.13,;32.11,1.45,;32.73,2.87,;31.8,4.11,;30.28,3.93,;30.26,5.47,)| Show InChI InChI=1S/C27H24Cl2N4O4/c1-32(2)11-9-30-21(35)8-10-33-19-7-6-14(34)12-15(19)23-20(33)13-16(22-17(28)4-3-5-18(22)29)24-25(23)27(37)31-26(24)36/h3-7,12-13,34H,8-11H2,1-2H3,(H,30,35)(H,31,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192377 (4-(2-chloro-6-methoxyphenyl)-9-hydroxypyrrolo[3,4-...) Show SMILES COc1cccc(Cl)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(32.88,-28.65,;32.26,-30.06,;33.17,-31.3,;34.7,-31.13,;35.61,-32.38,;34.99,-33.79,;33.46,-33.95,;32.84,-35.36,;32.55,-32.7,;31.03,-32.87,;30.4,-34.28,;28.86,-34.44,;27.96,-35.69,;26.48,-35.21,;25.15,-35.98,;23.82,-35.21,;23.82,-33.67,;22.49,-32.9,;25.15,-32.9,;26.48,-33.66,;27.96,-33.18,;28.58,-31.78,;27.96,-30.37,;26.46,-30.05,;29.1,-29.35,;30.43,-30.12,;31.84,-29.5,;30.11,-31.62,)| Show InChI InChI=1S/C21H13ClN2O4/c1-28-15-4-2-3-12(22)16(15)11-8-14-17(19-18(11)20(26)24-21(19)27)10-7-9(25)5-6-13(10)23-14/h2-8,23,25H,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245525 (3-(4-(2-chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES Oc1ccc2n(CCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C23H14ClN3O3/c24-16-5-2-1-4-13(16)14-11-18-19(21-20(14)22(29)26-23(21)30)15-10-12(28)6-7-17(15)27(18)9-3-8-25/h1-2,4-7,10-11,28H,3,9H2,(H,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279729 (CHEMBL472689 | N-(2-(1H-pyrrol-1-yl)ethyl)-4-(2-ch...) Show SMILES Cn1c2cc(C(=O)NCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C28H21ClN4O4/c1-32-20-13-18(26(35)30-8-11-33-9-4-5-10-33)22(34)14-17(20)23-21(32)12-16(15-6-2-3-7-19(15)29)24-25(23)28(37)31-27(24)36/h2-7,9-10,12-14,34H,8,11H2,1H3,(H,30,35)(H,31,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50232227 (4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...) Show SMILES OCCn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O6/c30-20-5-2-1-4-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)7-10-34)39-11-3-6-32-8-12-38-13-9-32/h1-2,4-5,14-16,34-35H,3,6-13H2,(H,31,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair				3D Structure (docked)
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245459 (4-(2-Chlorophenyl)-9-hydroxy-6-[3-(1H-tetrazol-5-y...) Show SMILES Oc1ccc2n(CCCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C24H17ClN6O3/c25-16-5-2-1-4-13(16)14-11-18-20(22-21(14)23(33)26-24(22)34)15-10-12(32)7-8-17(15)31(18)9-3-6-19-27-29-30-28-19/h1-2,4-5,7-8,10-11,32H,3,6,9H2,(H,26,33,34)(H,27,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192382 (4-(2,6-dichloro-3-hydroxyphenyl)-9-hydroxypyrrolo[...) Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)ccc(O)c1Cl |(-8.42,-23.21,;-7.09,-23.98,;-7.09,-25.52,;-5.76,-26.29,;-4.43,-25.52,;-2.95,-26,;-2.05,-24.75,;-.51,-24.59,;.12,-23.18,;-.8,-21.93,;-.48,-20.43,;.93,-19.81,;-1.81,-19.66,;-2.95,-20.68,;-4.45,-20.36,;-2.33,-22.09,;-2.95,-23.49,;-4.43,-23.97,;-5.76,-23.21,;1.64,-23.01,;2.26,-21.61,;1.35,-20.37,;3.79,-21.44,;4.7,-22.69,;4.08,-24.1,;4.99,-25.34,;2.55,-24.26,;1.93,-25.67,)| Show InChI InChI=1S/C20H10Cl2N2O4/c21-10-2-4-13(26)18(22)14(10)9-6-12-15(17-16(9)19(27)24-20(17)28)8-5-7(25)1-3-11(8)23-12/h1-6,23,25-26H,(H,24,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279690 (8-(3-(1H-pyrrol-1-yl)propoxy)-4-(2-chlorophenyl)-9...) Show SMILES OCCn1c2cc(c3C(=O)NC(=O)c3c2c2=CC(O)(O)C(OCCCn3cccc3)C=c12)-c1ccccc1Cl |t:17,33| Show InChI InChI=1S/C29H26ClN3O6/c30-20-7-2-1-6-17(20)18-14-22-24(26-25(18)27(35)31-28(26)36)19-16-29(37,38)23(15-21(19)33(22)11-12-34)39-13-5-10-32-8-3-4-9-32/h1-4,6-9,14-16,23,34,37-38H,5,10-13H2,(H,31,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192402 (4-(4-amino-2-methoxyphenyl)-9-hydroxypyrrolo[3,4-c...) Show SMILES COc1cc(N)ccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C21H15N3O4/c1-28-16-6-9(22)2-4-11(16)12-8-15-17(19-18(12)20(26)24-21(19)27)13-7-10(25)3-5-14(13)23-15/h2-8,23,25H,22H2,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279498 (6-(2-(1H-1,2,3-triazol-1-ylsulfonyl)ethyl)-4-(2-ch...) Show SMILES Oc1ccc2n(CCS(=O)(=O)n3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C24H16ClN5O5S/c25-17-4-2-1-3-14(17)15-12-19-20(22-21(15)23(32)27-24(22)33)16-11-13(31)5-6-18(16)29(19)9-10-36(34,35)30-8-7-26-28-30/h1-8,11-12,31H,9-10H2,(H,27,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50232235 (4-(2-chlorophenyl)-9-hydroxy-6-(2-hydroxyethyl)-8-...) Show SMILES OCCn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C30H30ClN3O5/c31-22-7-2-1-6-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)9-12-35)5-3-4-8-33-10-13-39-14-11-33/h1-2,6-7,15-17,35-36H,3-5,8-14H2,(H,32,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279710 (8-(3-(1H-pyrrol-1-yl)propylthio)-4-(2-chlorophenyl...) Show SMILES Cn1c2cc(SCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C28H22ClN3O3S/c1-31-20-15-23(36-12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-5,7-10,13-15,33H,6,11-12H2,1H3,(H,30,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192435 (4-(4-amino-2-bromophenyl)-9-hydroxypyrrolo[3,4-c]c...) Show SMILES Nc1ccc(c(Br)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C20H12BrN3O3/c21-13-5-8(22)1-3-10(13)11-7-15-16(18-17(11)19(26)24-20(18)27)12-6-9(25)2-4-14(12)23-15/h1-7,23,25H,22H2,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192389 (4-(5-amino-2-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...) Show SMILES Nc1ccc(Cl)c(c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C20H12ClN3O3/c21-13-3-1-8(22)5-10(13)11-7-15-16(18-17(11)19(26)24-20(18)27)12-6-9(25)2-4-14(12)23-15/h1-7,23,25H,22H2,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279442 (3-(9-hydroxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-c]ca...) Show SMILES NC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12 Show InChI InChI=1S/C17H13N3O4/c18-13(22)5-6-20-11-3-1-8(21)7-10(11)14-12(20)4-2-9-15(14)17(24)19-16(9)23/h1-4,7,21H,5-6H2,(H2,18,22)(H,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245423 (4-(2-Chlorophenyl)-9-hydroxy-6-[2-(1H-tetrazol-5-y...) Show SMILES Oc1ccc2n(CCc3nnn[nH]3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C23H15ClN6O3/c24-15-4-2-1-3-12(15)13-10-17-19(21-20(13)22(32)25-23(21)33)14-9-11(31)5-6-16(14)30(17)8-7-18-26-28-29-27-18/h1-6,9-10,31H,7-8H2,(H,25,32,33)(H,26,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192440 (4-(2-bromophenyl)-9-hydroxypyrrolo[3,4-c]carbazole...) Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Br Show InChI InChI=1S/C20H11BrN2O3/c21-13-4-2-1-3-10(13)11-8-15-16(18-17(11)19(25)23-20(18)26)12-7-9(24)5-6-14(12)22-15/h1-8,22,24H,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279580 (3-(9-hydroxy-1,3-dioxo-2,3-dihydropyrrolo[3,4-c]ca...) Show SMILES OC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12 Show InChI InChI=1S/C17H12N2O5/c20-8-1-3-11-10(7-8)14-12(19(11)6-5-13(21)22)4-2-9-15(14)17(24)18-16(9)23/h1-4,7,20H,5-6H2,(H,21,22)(H,18,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192381 (4-(2-chloro-4-hydroxyphenyl)-9-hydroxypyrrolo[3,4-...) Show SMILES Oc1ccc(c(Cl)c1)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C20H11ClN2O4/c21-13-6-9(25)1-3-10(13)11-7-15-16(18-17(11)19(26)23-20(18)27)12-5-8(24)2-4-14(12)22-15/h1-7,22,24-25H,(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279631 (4-(3-amino-4-chlorophenyl)-9-hydroxypyrrolo[3,4-c]...) Show SMILES Nc1cc(ccc1Cl)-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C20H12ClN3O3/c21-12-3-1-8(5-13(12)22)10-7-15-16(18-17(10)19(26)24-20(18)27)11-6-9(25)2-4-14(11)23-15/h1-7,23,25H,22H2,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192374 (9-hydroxy-4-(2-methoxyphenyl)pyrrolo[3,4-c]carbazo...) Show SMILES COc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C21H14N2O4/c1-27-16-5-3-2-4-11(16)12-9-15-17(19-18(12)20(25)23-21(19)26)13-8-10(24)6-7-14(13)22-15/h2-9,22,24H,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279632 (6-(2-(1H-1,2,3-triazol-1-ylthio)ethyl)-4-(2-chloro...) Show SMILES Oc1ccc2n(CCSn3ccnn3)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C24H16ClN5O3S/c25-17-4-2-1-3-14(17)15-12-19-20(22-21(15)23(32)27-24(22)33)16-11-13(31)5-6-18(16)29(19)9-10-34-30-8-7-26-28-30/h1-8,11-12,31H,9-10H2,(H,27,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279674 (8-(4-(1H-pyrrol-1-yl)butyl)-4-(2-chlorophenyl)-9-h...) Show SMILES OCCn1c2cc(CCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C30H26ClN3O4/c31-22-9-2-1-8-19(22)20-16-24-26(28-27(20)29(37)32-30(28)38)21-17-25(36)18(15-23(21)34(24)13-14-35)7-3-4-10-33-11-5-6-12-33/h1-2,5-6,8-9,11-12,15-17,35-36H,3-4,7,10,13-14H2,(H,32,37,38)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279709 (8-(3-(1H-pyrrol-1-yl)propoxy)-4-(2-chlorophenyl)-9...) Show SMILES OCCn1c2cc(OCCCn3cccc3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H24ClN3O5/c30-20-7-2-1-6-17(20)18-14-22-25(27-26(18)28(36)31-29(27)37)19-15-23(35)24(16-21(19)33(22)11-12-34)38-13-5-10-32-8-3-4-9-32/h1-4,6-9,14-16,34-35H,5,10-13H2,(H,31,36,37)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair				3D Structure (docked)
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279726 (9-hydroxy-6-(2-hydroxyethyl)pyrrolo[3,4-c]carbazol...) Show SMILES OCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3ccc12 Show InChI InChI=1S/C16H12N2O4/c19-6-5-18-11-3-1-8(20)7-10(11)13-12(18)4-2-9-14(13)16(22)17-15(9)21/h1-4,7,19-20H,5-6H2,(H,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50232242 (4-(2-chlorophenyl)-8-(3-(dimethylamino)propoxy)-9-...) Show SMILES CN(C)CCCOc1cc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2cc1O)-c1ccccc1Cl Show InChI InChI=1S/C25H22ClN3O4/c1-29(2)8-5-9-33-20-12-17-15(11-19(20)30)21-18(27-17)10-14(13-6-3-4-7-16(13)26)22-23(21)25(32)28-24(22)31/h3-4,6-7,10-12,27,30H,5,8-9H2,1-2H3,(H,28,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50232233 (4-(2-chlorophenyl)-9-hydroxy-8-(3-morpholinopropox...) Show SMILES Oc1cc2c(cc1OCCCN1CCOCC1)[nH]c1cc(c3C(=O)NC(=O)c3c21)-c1ccccc1Cl Show InChI InChI=1S/C27H24ClN3O5/c28-18-5-2-1-4-15(18)16-12-20-23(25-24(16)26(33)30-27(25)34)17-13-21(32)22(14-19(17)29-20)36-9-3-6-31-7-10-35-11-8-31/h1-2,4-5,12-14,29,32H,3,6-11H2,(H,30,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192394 (4-(2,6-dimethoxyphenyl)-9-hydroxypyrrolo[3,4-c]car...) Show SMILES COc1cccc(OC)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(18.36,-14.01,;19.89,-13.84,;20.51,-12.44,;22.04,-12.27,;22.67,-10.86,;21.75,-9.62,;20.22,-9.79,;19.31,-8.55,;19.93,-7.14,;19.61,-11.19,;18.09,-11.36,;17.45,-12.77,;15.92,-12.93,;15.01,-14.18,;13.54,-13.7,;12.2,-14.47,;10.87,-13.7,;10.87,-12.16,;9.54,-11.39,;12.2,-11.39,;13.53,-12.15,;15.01,-11.67,;15.64,-10.26,;15.01,-8.86,;13.51,-8.54,;16.16,-7.83,;17.49,-8.61,;18.89,-7.98,;17.16,-10.11,)| Show InChI InChI=1S/C22H16N2O5/c1-28-15-4-3-5-16(29-2)18(15)12-9-14-17(20-19(12)21(26)24-22(20)27)11-8-10(25)6-7-13(11)23-14/h3-9,23,25H,1-2H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245548 (4-(2-Chlorophenyl)-9-hydroxy-6-(3-methoxypropyl)-p...) Show SMILES COCCCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C24H19ClN2O4/c1-31-10-4-9-27-18-8-7-13(28)11-16(18)20-19(27)12-15(14-5-2-3-6-17(14)25)21-22(20)24(30)26-23(21)29/h2-3,5-8,11-12,28H,4,9-10H2,1H3,(H,26,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192437 (4-(2,3-dichlorophenyl)-9-hydroxypyrrolo[3,4-c]carb...) Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(Cl)c1Cl Show InChI InChI=1S/C20H10Cl2N2O3/c21-12-3-1-2-9(18(12)22)10-7-14-15(17-16(10)19(26)24-20(17)27)11-6-8(25)4-5-13(11)23-14/h1-7,23,25H,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192393 (4-(2-chloro-3-hydroxyphenyl)-9-hydroxypyrrolo[3,4-...) Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1cccc(O)c1Cl Show InChI InChI=1S/C20H11ClN2O4/c21-18-9(2-1-3-14(18)25)10-7-13-15(17-16(10)19(26)23-20(17)27)11-6-8(24)4-5-12(11)22-13/h1-7,22,24-25H,(H,23,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192399 (4-(2,6-dichlorophenyl)-9-hydroxypyrrolo[3,4-c]carb...) Show SMILES Oc1ccc2[nH]c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1c(Cl)cccc1Cl |(-8.44,-32.87,;-7.11,-33.63,;-7.11,-35.18,;-5.78,-35.95,;-4.44,-35.18,;-2.97,-35.66,;-2.06,-34.4,;-.53,-34.25,;.11,-32.83,;-.82,-31.58,;-.49,-30.08,;.91,-29.46,;-1.82,-29.31,;-2.97,-30.34,;-4.47,-30.01,;-2.34,-31.74,;-2.97,-33.15,;-4.44,-33.63,;-5.78,-32.86,;1.63,-32.67,;2.53,-33.91,;1.91,-35.32,;4.06,-33.75,;4.69,-32.34,;3.77,-31.09,;2.25,-31.27,;1.33,-30.02,)| Show InChI InChI=1S/C20H10Cl2N2O3/c21-11-2-1-3-12(22)15(11)10-7-14-16(18-17(10)19(26)24-20(18)27)9-6-8(25)4-5-13(9)23-14/h1-7,23,25H,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192344 (4-(2-fluoro-6-methoxyphenyl)-9-hydroxypyrrolo[3,4-...) Show SMILES COc1cccc(F)c1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 |(35.24,-13.49,;36.77,-13.32,;37.4,-11.92,;38.93,-11.75,;39.55,-10.34,;38.63,-9.1,;37.11,-9.27,;36.2,-8.03,;36.49,-10.67,;34.97,-10.84,;34.34,-12.25,;32.8,-12.41,;31.89,-13.66,;30.42,-13.18,;29.09,-13.95,;27.75,-13.18,;27.76,-11.64,;26.42,-10.87,;29.08,-10.87,;30.42,-11.63,;31.89,-11.15,;32.52,-9.74,;31.9,-8.34,;30.39,-8.02,;33.04,-7.31,;34.37,-8.08,;35.78,-7.46,;34.05,-9.59,)| Show InChI InChI=1S/C21H13FN2O4/c1-28-15-4-2-3-12(22)16(15)11-8-14-17(19-18(11)20(26)24-21(19)27)10-7-9(25)5-6-13(10)23-14/h2-8,23,25H,1H3,(H,24,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50232237 (4-(2-chlorophenyl)-9-hydroxy-6-methyl-8-(4-morphol...) Show SMILES Cn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C29H28ClN3O4/c1-32-22-14-17(6-4-5-9-33-10-12-37-13-11-33)24(34)16-20(22)25-23(32)15-19(18-7-2-3-8-21(18)30)26-27(25)29(36)31-28(26)35/h2-3,7-8,14-16,34H,4-6,9-13H2,1H3,(H,31,35,36)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245546 (CHEMBL487891 | Methyl 3-(4-(2-chlorophenyl)-9-hydr...) Show SMILES COC(=O)CCn1c2ccc(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl Show InChI InChI=1S/C24H17ClN2O5/c1-32-19(29)8-9-27-17-7-6-12(28)10-15(17)20-18(27)11-14(13-4-2-3-5-16(13)25)21-22(20)24(31)26-23(21)30/h2-7,10-11,28H,8-9H2,1H3,(H,26,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245497 (9-Hydroxy-6-(3-hydroxypropyl)-4-(2-methoxyphenyl)-...) Show SMILES COc1ccccc1-c1cc2n(CCCO)c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C24H20N2O5/c1-31-19-6-3-2-5-14(19)15-12-18-20(22-21(15)23(29)25-24(22)30)16-11-13(28)7-8-17(16)26(18)9-4-10-27/h2-3,5-8,11-12,27-28H,4,9-10H2,1H3,(H,25,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair				3D Structure (crystal)
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50245547 (4-(4-(2-Chlorophenyl)-9-hydroxy-1,3-dioxo-2,3-dihy...) Show SMILES Oc1ccc2n(CCCC#N)c3cc(c4C(=O)NC(=O)c4c3c2c1)-c1ccccc1Cl Show InChI InChI=1S/C24H16ClN3O3/c25-17-6-2-1-5-14(17)15-12-19-20(22-21(15)23(30)27-24(22)31)16-11-13(29)7-8-18(16)28(19)10-4-3-9-26/h1-2,5-8,11-12,29H,3-4,10H2,(H,27,30,31)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50192363 (9-hydroxy-4-(2-(methylthio)phenyl)pyrrolo[3,4-c]ca...) Show SMILES CSc1ccccc1-c1cc2[nH]c3ccc(O)cc3c2c2C(=O)NC(=O)c12 Show InChI InChI=1S/C21H14N2O3S/c1-27-16-5-3-2-4-11(16)12-9-15-17(19-18(12)20(25)23-21(19)26)13-8-10(24)6-7-14(13)22-15/h2-9,22,24H,1H3,(H,23,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50279727 (8-(3-(1H-pyrrol-1-yl)propylsulfinyl)-4-(2-chloroph...) Show SMILES Cn1c2cc(c(O)cc2c2c3C(=O)NC(=O)c3c(cc12)-c1ccccc1Cl)S(=O)CCCn1cccc1 Show InChI InChI=1S/C28H22ClN3O4S/c1-31-20-15-23(37(36)12-6-11-32-9-4-5-10-32)22(33)14-18(20)24-21(31)13-17(16-7-2-3-8-19(16)29)25-26(24)28(35)30-27(25)34/h2-5,7-10,13-15,33H,6,11-12H2,1H3,(H,30,34,35)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Chulalongkorn University Curated by ChEMBL					Assay Description Inhibition of human Wee1				Eur J Med Chem 44: 1383-95 (2009) Article DOI: 10.1016/j.ejmech.2008.09.027 BindingDB Entry DOI: 10.7270/Q2X34XB6
					More data for this Ligand-Target Pair

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