Compile Data Set for Download or QSAR

Found 646 hits with Last Name = 'torrent' and Initial = 'm'   

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
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50156455 ((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.00780	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor E273 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50156455 ((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50156455 ((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor N298 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50184183 (3,3'-difluoro-4'-{[5-(4-pyridin-4-yl-piperazine-1-...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)c2ccncc2)c(F)c1 Show InChI InChI=1S/C30H27F2N5O3/c1-40-30(39)28-24(3-2-4-25(28)31)20-5-6-21(26(32)17-20)18-34-27-8-7-22(19-35-27)29(38)37-15-13-36(14-16-37)23-9-11-33-12-10-23/h2-12,17,19H,13-16,18H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50156455 ((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0490	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor D291 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50184183 (3,3'-difluoro-4'-{[5-(4-pyridin-4-yl-piperazine-1-...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)c2ccncc2)c(F)c1 Show InChI InChI=1S/C30H27F2N5O3/c1-40-30(39)28-24(3-2-4-25(28)31)20-5-6-21(26(32)17-20)18-34-27-8-7-22(19-35-27)29(38)37-15-13-36(14-16-37)23-9-11-33-12-10-23/h2-12,17,19H,13-16,18H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor E273 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50184183 (3,3'-difluoro-4'-{[5-(4-pyridin-4-yl-piperazine-1-...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)c2ccncc2)c(F)c1 Show InChI InChI=1S/C30H27F2N5O3/c1-40-30(39)28-24(3-2-4-25(28)31)20-5-6-21(26(32)17-20)18-34-27-8-7-22(19-35-27)29(38)37-15-13-36(14-16-37)23-9-11-33-12-10-23/h2-12,17,19H,13-16,18H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor D291 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
Wee1-like protein kinase (Homo sapiens (Human))	BDBM50522503 (CHEMBL4454675) Show SMILES CN1Cc2cc(Nc3ncc4c(n3)n(cc(-c3c(Cl)cccc3Cl)c4=O)C3CC3)ccc2C2(CC2)C1 |(5.84,-44.42,;7.17,-43.65,;8.5,-44.42,;9.83,-43.65,;11.16,-44.42,;12.49,-43.65,;13.82,-44.42,;15.16,-43.65,;15.15,-42.12,;16.48,-41.34,;17.82,-42.11,;17.82,-43.65,;16.49,-44.42,;19.15,-44.41,;20.54,-43.66,;20.49,-42.12,;21.81,-41.33,;21.78,-39.79,;20.43,-39.05,;23.09,-39,;24.45,-39.75,;24.47,-41.29,;23.15,-42.08,;23.16,-43.62,;19.15,-41.34,;19.15,-39.8,;19.13,-45.96,;18.35,-47.28,;19.89,-47.3,;12.48,-42.11,;11.15,-41.35,;9.83,-42.11,;8.5,-41.34,;7.73,-40,;9.27,-40,;7.17,-42.11,)| Show InChI InChI=1S/C28H25Cl2N5O/c1-34-13-16-11-17(5-8-21(16)28(15-34)9-10-28)32-27-31-12-19-25(36)20(24-22(29)3-2-4-23(24)30)14-35(18-6-7-18)26(19)33-27/h2-5,8,11-12,14,18H,6-7,9-10,13,15H2,1H3,(H,31,32,33)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Global Pharmaceutical Research and Development Curated by ChEMBL					Assay Description Binding affinity to wild type N-terminal GST-tagged human WEE1 catalytic domain (215 to 646 residues) expressed in baculovirus expression system meas...				Bioorg Med Chem Lett 29: 1481-1486 (2019) Article DOI: 10.1016/j.bmcl.2019.04.017 BindingDB Entry DOI: 10.7270/Q2VX0KXT
					More data for this Ligand-Target Pair
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))	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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479471 (CHEMBL491019 | MK-1107) Show SMILES Clc1cc(Oc2cc(OCc3n[nH]c4ncccc34)ccc2Cl)cc(c1)C#N Show InChI InChI=1S/C20H12Cl2N4O2/c21-13-6-12(10-23)7-15(8-13)28-19-9-14(3-4-17(19)22)27-11-18-16-2-1-5-24-20(16)26-25-18/h1-9H,11H2,(H,24,25,26)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235631 (CHEMBL4060827) Show SMILES CN(C)[C@H]1CN(C[C@@H]1c1ccc(cc1)N1CCN(CC1)C(C)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H35FN4O/c1-19(33)30-13-15-31(16-14-30)22-10-7-20(8-11-22)23-17-32(18-26(23)29(2)3)25-12-9-21-5-4-6-24(28)27(21)25/h4-8,10-11,23,25-26H,9,12-18H2,1-3H3/t23-,25?,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					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
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
Polycomb protein EED (Homo sapiens (Human))	BDBM50235630 (CHEMBL4093096) Show SMILES CN(C)[C@H]1CC(C[C@@H]1c1ccc(cc1)N1CCN(CC1)S(C)(=O)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C27H36FN3O2S/c1-29(2)26-18-21(23-12-9-20-5-4-6-25(28)27(20)23)17-24(26)19-7-10-22(11-8-19)30-13-15-31(16-14-30)34(3,32)33/h4-8,10-11,21,23-24,26H,9,12-18H2,1-3H3/t21?,23?,24-,26+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of OG(488) labeled probe binding to GST-tagged EED (unknown origin) after 1 hr by LanthaScreen TR-FRET assay				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50479470 (CHEMBL489586 | MK-4965) Show SMILES Nc1ccc2c(COc3ccc(Cl)c(Oc4cc(Cl)cc(c4)C#N)c3)n[nH]c2n1 Show InChI InChI=1S/C20H13Cl2N5O2/c21-12-5-11(9-23)6-14(7-12)29-18-8-13(1-3-16(18)22)28-10-17-15-2-4-19(24)25-20(15)27-26-17/h1-8H,10H2,(H3,24,25,26,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid PDB UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484635 (CHEMBL1939500) Show SMILES Clc1cc(Oc2c(Cl)ccc3n(Cc4n[nH]c5ncccc45)nnc23)cc(c1)C#N Show InChI InChI=1S/C20H11Cl2N7O/c21-12-6-11(9-23)7-13(8-12)30-19-15(22)3-4-17-18(19)26-28-29(17)10-16-14-2-1-5-24-20(14)27-25-16/h1-8H,10H2,(H,24,25,27)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235643 (CHEMBL4076017) Show SMILES CN(C)[C@H]1CN(C[C@@H]1C1CCN(CC1)c1ccc(cn1)C(N)=O)C1CCc2cccc(F)c12 |r| Show InChI InChI=1S/C26H34FN5O/c1-30(2)23-16-32(22-8-6-18-4-3-5-21(27)25(18)22)15-20(23)17-10-12-31(13-11-17)24-9-7-19(14-29-24)26(28)33/h3-5,7,9,14,17,20,22-23H,6,8,10-13,15-16H2,1-2H3,(H2,28,33)/t20-,22?,23+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439590 (US10633379, Example 121) Show SMILES Cc1cc(F)cc(C)c1Oc1ccc(cc1-c1cn(C)c(=O)c2[nH]c(cc12)C(=O)NC1CC1)C(C)(C)O Show InChI InChI=1S/C29H30FN3O4/c1-15-10-18(30)11-16(2)26(15)37-24-9-6-17(29(3,4)36)12-20(24)22-14-33(5)28(35)25-21(22)13-23(32-25)27(34)31-19-7-8-19/h6,9-14,19,32,36H,7-8H2,1-5H3,(H,31,34)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511849 (CHEMBL4465299) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1N1CCc2cccc(C)c12)S(=O)(=O)CC Show InChI InChI=1S/C28H30N4O4S/c1-5-29-27(33)23-15-21-22(16-31(4)28(34)25(21)30-23)20-14-19(37(35,36)6-2)10-11-24(20)32-13-12-18-9-7-8-17(3)26(18)32/h7-11,14-16,30H,5-6,12-13H2,1-4H3,(H,29,33)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					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
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511850 (CHEMBL4435166) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NC(C)=O)ccc1Oc1c(C)cccc1C Show InChI InChI=1S/C27H28N4O4/c1-6-28-26(33)22-13-20-21(14-31(5)27(34)24(20)30-22)19-12-18(29-17(4)32)10-11-23(19)35-25-15(2)8-7-9-16(25)3/h7-14,30H,6H2,1-5H3,(H,28,33)(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511875 (CHEMBL4548794) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1ccccc1Cl)S(=O)(=O)CC Show InChI InChI=1S/C25H24ClN3O5S/c1-4-27-24(30)20-13-17-18(14-29(3)25(31)23(17)28-20)16-12-15(35(32,33)5-2)10-11-21(16)34-22-9-7-6-8-19(22)26/h6-14,28H,4-5H2,1-3H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					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
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484632 (Mk-6186 | Mk6186) Show SMILES Clc1cc(Oc2c(Cl)ccc3n(Cc4n[nH]c5ncccc45)ncc23)cc(c1)C#N Show InChI InChI=1S/C21H12Cl2N6O/c22-13-6-12(9-24)7-14(8-13)30-20-16-10-26-29(19(16)4-3-17(20)23)11-18-15-2-1-5-25-21(15)28-27-18/h1-8,10H,11H2,(H,25,27,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511864 (CHEMBL4564879) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)S(=O)(=O)C1CC1 Show InChI InChI=1S/C28H29N3O5S/c1-5-29-27(32)23-14-21-22(15-31(4)28(33)25(21)30-23)20-13-19(37(34,35)18-9-10-18)11-12-24(20)36-26-16(2)7-6-8-17(26)3/h6-8,11-15,18,30H,5,9-10H2,1-4H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM439461 (US10633379, Example 3 | US10633379, Example 68) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1C)C(C)(C)O Show InChI InChI=1S/C28H31N3O4/c1-7-29-26(32)22-14-20-21(15-31(6)27(33)24(20)30-22)19-13-18(28(4,5)34)11-12-23(19)35-25-16(2)9-8-10-17(25)3/h8-15,30,34H,7H2,1-6H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD 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
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					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
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
Polycomb protein EED (Homo sapiens (Human))	BDBM50235658 (CHEMBL4073166) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1C1CCN(CC1)c1cnc(cn1)C(N)=O |r| Show InChI InChI=1S/C24H33FN6O/c1-16-5-4-6-20(25)18(16)13-30-14-19(22(15-30)29(2)3)17-7-9-31(10-8-17)23-12-27-21(11-28-23)24(26)32/h4-6,11-12,17,19,22H,7-10,13-15H2,1-3H3,(H2,26,32)/t19-,22+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.650	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511870 (CHEMBL4461291) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1cc(C)cc(C)c1)S(=O)(=O)CC Show InChI InChI=1S/C27H29N3O5S/c1-6-28-26(31)23-14-21-22(15-30(5)27(32)25(21)29-23)20-13-19(36(33,34)7-2)8-9-24(20)35-18-11-16(3)10-17(4)12-18/h8-15,29H,6-7H2,1-5H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511855 (CHEMBL4454597) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1ccc(F)cc1F)S(=O)(=O)CC Show InChI InChI=1S/C25H23F2N3O5S/c1-4-28-24(31)20-12-17-18(13-30(3)25(32)23(17)29-20)16-11-15(36(33,34)5-2)7-9-21(16)35-22-8-6-14(26)10-19(22)27/h6-13,29H,4-5H2,1-3H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50184203 (4'-{[3-(2-cyano-acetylamino)-4-methyl-pyridin-2-yl...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2nccc(C)c2NC(=O)CC#N)c(F)c1 Show InChI InChI=1S/C24H20F2N4O3/c1-14-9-11-28-23(22(14)30-20(31)8-10-27)29-13-16-7-6-15(12-19(16)26)17-4-3-5-18(25)21(17)24(32)33-2/h3-7,9,11-12H,8,13H2,1-2H3,(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
Polycomb protein EED (Homo sapiens (Human))	BDBM50235644 (CHEMBL4065766) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2c(cccc12)N1CCN(C)C(=O)C1 |r| Show InChI InChI=1S/C28H36FN5O/c1-19-8-6-10-24(29)21(19)15-33-16-23(26(17-33)30(2)3)22-14-32(5)28-20(22)9-7-11-25(28)34-13-12-31(4)27(35)18-34/h6-11,14,23,26H,12-13,15-18H2,1-5H3/t23-,26+/m1/s1	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
AbbVie Inc. Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511859 (CHEMBL4470856) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1ccccc1C)S(=O)(=O)CC Show InChI InChI=1S/C26H27N3O5S/c1-5-27-25(30)21-14-19-20(15-29(4)26(31)24(19)28-21)18-13-17(35(32,33)6-2)11-12-23(18)34-22-10-8-7-9-16(22)3/h7-15,28H,5-6H2,1-4H3,(H,27,30)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511861 (CHEMBL4529861) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(NS(=O)(=O)CC)ccc1Oc1c(C)cccc1C Show InChI InChI=1S/C27H30N4O5S/c1-6-28-26(32)22-14-20-21(15-31(5)27(33)24(20)29-22)19-13-18(30-37(34,35)7-2)11-12-23(19)36-25-16(3)9-8-10-17(25)4/h8-15,29-30H,6-7H2,1-5H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511869 (CHEMBL4548127) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cc(Cl)cc1C)S(=O)(=O)CC Show InChI InChI=1S/C27H28ClN3O5S/c1-6-29-26(32)22-13-20-21(14-31(5)27(33)24(20)30-22)19-12-18(37(34,35)7-2)8-9-23(19)36-25-15(3)10-17(28)11-16(25)4/h8-14,30H,6-7H2,1-5H3,(H,29,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50184183 (3,3'-difluoro-4'-{[5-(4-pyridin-4-yl-piperazine-1-...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC2)c2ccncc2)c(F)c1 Show InChI InChI=1S/C30H27F2N5O3/c1-40-30(39)28-24(3-2-4-25(28)31)20-5-6-21(26(32)17-20)18-34-27-8-7-22(19-35-27)29(38)37-15-13-36(14-16-37)23-9-11-33-12-10-23/h2-12,17,19H,13-16,18H2,1H3,(H,34,35)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.830	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor N298 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50184209 (4'-{[5-(4-cyclopropylmethyl-piperazine-1-carbonyl)...) Show SMILES COC(=O)c1c(F)cccc1-c1ccc(CNc2ccc(cn2)C(=O)N2CCN(CC3CC3)CC2)c(F)c1 Show InChI InChI=1S/C29H30F2N4O3/c1-38-29(37)27-23(3-2-4-24(27)30)20-7-8-21(25(31)15-20)16-32-26-10-9-22(17-33-26)28(36)35-13-11-34(12-14-35)18-19-5-6-19/h2-4,7-10,15,17,19H,5-6,11-14,16,18H2,1H3,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.850	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
B1 bradykinin receptor (Homo sapiens (Human))	BDBM50156455 ((R)-N-(4-(4,5-dihydro-1H-imidazol-2-yl)phenethyl)-...) Show SMILES Clc1ccc(cc1Cl)S(=O)(=O)N1[C@H](CC(=O)NCCc2ccc(cc2)C2=NCCN2)C(=O)Nc2ccccc12 |r,t:27| Show InChI InChI=1S/C27H25Cl2N5O4S/c28-20-10-9-19(15-21(20)29)39(37,38)34-23-4-2-1-3-22(23)33-27(36)24(34)16-25(35)30-12-11-17-5-7-18(8-6-17)26-31-13-14-32-26/h1-10,15,24H,11-14,16H2,(H,30,35)(H,31,32)(H,33,36)/t24-/m1/s1	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.890	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human BK1 receptor Q295 mutant				Bioorg Med Chem Lett 16: 2791-5 (2006) Article DOI: 10.1016/j.bmcl.2006.01.112 BindingDB Entry DOI: 10.7270/Q28915GX
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511868 (CHEMBL4560574) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1-c1cccc2cc[nH]c12)S(=O)(=O)CC Show InChI InChI=1S/C27H26N4O4S/c1-4-28-26(32)23-14-21-22(15-31(3)27(33)25(21)30-23)20-13-17(36(34,35)5-2)9-10-18(20)19-8-6-7-16-11-12-29-24(16)19/h6-15,29-30H,4-5H2,1-3H3,(H,28,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511880 (CHEMBL4469571) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1Cl)S(=O)(=O)CC Show InChI InChI=1S/C26H26ClN3O5S/c1-5-28-25(31)21-13-18-19(14-30(4)26(32)23(18)29-21)17-12-16(36(33,34)6-2)10-11-22(17)35-24-15(3)8-7-9-20(24)27/h7-14,29H,5-6H2,1-4H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 (Homo sapiens (Human))	BDBM50511871 (CHEMBL4454614) Show SMILES CCNC(=O)c1cc2c(cn(C)c(=O)c2[nH]1)-c1cc(ccc1Oc1c(C)cccc1F)S(=O)(=O)CC Show InChI InChI=1S/C26H26FN3O5S/c1-5-28-25(31)21-13-18-19(14-30(4)26(32)23(18)29-21)17-12-16(36(33,34)6-2)10-11-22(17)35-24-15(3)8-7-9-20(24)27/h7-14,29H,5-6H2,1-4H3,(H,28,31)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AbbVie Inc. Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6 tagged BRD4 BD2 (352 to 457) residues expressed in Escherichia coli BL21(DE3) cells after 1 hr by TR-FRET assay				J Med Chem 63: 5585-5623 (2020) Article DOI: 10.1021/acs.jmedchem.0c00628 BindingDB Entry DOI: 10.7270/Q2057K8M
					More data for this Ligand-Target Pair
Reverse transcriptase protein (Human immunodeficiency virus 1)	BDBM50484629 (CHEMBL1939503) Show SMILES Nc1ccc2c(Cn3nnc4c(Oc5cc(Cl)cc(c5)C#N)c(Cl)ccc34)n[nH]c2n1 Show InChI InChI=1S/C20H12Cl2N8O/c21-11-5-10(8-23)6-12(7-11)31-19-14(22)2-3-16-18(19)27-29-30(16)9-15-13-1-4-17(24)25-20(13)28-26-15/h1-7H,9H2,(H3,24,25,26,28)	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.940	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Co. Curated by ChEMBL					Assay Description Inhibition of Human immunodeficiency virus reverse transcriptase K103N mutant by SPA assay				J Med Chem 54: 7920-33 (2011) Article DOI: 10.1021/jm2010173 BindingDB Entry DOI: 10.7270/Q2W66PMC
					More data for this Ligand-Target Pair
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
Polycomb protein EED (Homo sapiens (Human))	BDBM50235632 (CHEMBL4077363) Show SMILES CN(C)[C@H]1CN(Cc2c(C)cccc2F)C[C@@H]1c1cn(C)c2c(cccc12)C(=O)N1CC(F)C1 |r| Show InChI InChI=1S/C27H32F2N4O/c1-17-7-5-10-24(29)21(17)14-32-15-23(25(16-32)30(2)3)22-13-31(4)26-19(22)8-6-9-20(26)27(34)33-11-18(28)12-33/h5-10,13,18,23,25H,11-12,14-16H2,1-4H3/t23-,25+/m1/s1	PDB UniProtKB/SwissProt 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 Inc. Curated by ChEMBL					Assay Description In vitro displacement of [3H]-LY 278584 from rat cerebral cortex 5-hydroxytryptamine 3 receptor				Bioorg Med Chem Lett 27: 1576-1583 (2017) Article DOI: 10.1016/j.bmcl.2017.02.030 BindingDB Entry DOI: 10.7270/Q22F7QQG
					More data for this Ligand-Target Pair

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