Compile Data Set for Download or QSAR

Found 5910 hits with Last Name = 'mitchell' and Initial = 'a'   

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
Prostaglandin G/H synthase 1 (Homo sapiens (Human))	BDBM85511 (CAS_74103-07-4 | KETOROLAC | Ketorolac tris salt |...) Show SMILES OC(=O)C1CCn2c1ccc2C(=O)c1ccccc1 Show InChI InChI=1S/C15H13NO3/c17-14(10-4-2-1-3-5-10)13-7-6-12-11(15(18)19)8-9-16(12)13/h1-7,11H,8-9H2,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
St. Bartholomew's and the Royal London School of Medicine and Dentistry Curated by PDSP Ki Database									Proc Natl Acad Sci U S A 96: 7563-8 (1999) Article DOI: 10.1073/pnas.96.13.7563 BindingDB Entry DOI: 10.7270/Q21G0JT4
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280750 (CHEMBL4160361) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C18H21ClO5/c1-17(2,3)16(22)23-11-18(10-20)9-13(15(21)24-18)8-12-4-6-14(19)7-5-12/h4-8,20H,9-11H2,1-3H3/b13-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50244449 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) Show SMILES CCCC(CCC)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H31NO5/c1-4-8-17(9-5-2)22(27)29-16-24(15-26)13-18(23(28)30-24)12-19-14-25(3)21-11-7-6-10-20(19)21/h6-7,10-12,14,17,26H,4-5,8-9,13,15-16H2,1-3H3/b18-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280765 (CHEMBL4160647) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C21H24ClNO5/c1-20(2,3)19(26)27-12-21(11-24)9-13(18(25)28-21)7-14-10-23(4)17-6-5-15(22)8-16(14)17/h5-8,10,24H,9,11-12H2,1-4H3/b13-7+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50114673 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.07	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280759 (CHEMBL4162516) Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1 Show InChI InChI=1S/C20H27NO5/c1-19(2,3)18(24)25-13-20(12-22)11-15(17(23)26-20)10-14-6-8-16(9-7-14)21(4)5/h6-10,22H,11-13H2,1-5H3/b15-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280768 (CHEMBL4163130) Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1 Show InChI InChI=1S/C19H24O6/c1-18(2,3)17(22)24-12-19(11-20)10-14(16(21)25-19)9-13-5-7-15(23-4)8-6-13/h5-9,20H,10-12H2,1-4H3/b14-9+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	1.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM111939 (US8618107, 105) Show SMILES Cn1cc(cc(Nc2ccncn2)c1=O)-c1cccc(N2CCc3c4CC(C)(C)Cc4sc3C2=O)c1CO Show InChI InChI=1S/C29H29N5O3S/c1-29(2)12-20-19-8-10-34(28(37)26(19)38-24(20)13-29)23-6-4-5-18(21(23)15-35)17-11-22(27(36)33(3)14-17)32-25-7-9-30-16-31-25/h4-7,9,11,14,16,35H,8,10,12-13,15H2,1-3H3,(H,30,31,32)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc., Research and Early Development, 1 DNA Way, South San Francisco, California 94080, United States. Curated by ChEMBL					Assay Description Inhibition of recombinant human full length His-tagged BTK expressed in baculovirus expression system by Z-LYTE assay				ACS Med Chem Lett 8: 608-613 (2017) Article DOI: 10.1021/acsmedchemlett.7b00103 BindingDB Entry DOI: 10.7270/Q24M96ZH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280751 (CHEMBL4174397) Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1 Show InChI InChI=1S/C21H19ClO6/c1-26-18-8-2-14(3-9-18)10-16-11-21(12-23,28-20(16)25)13-27-19(24)15-4-6-17(22)7-5-15/h2-10,23H,11-13H2,1H3/b16-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280773 (CHEMBL4174723) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2csc3ccccc23)C(=O)O1 Show InChI InChI=1S/C20H22O5S/c1-19(2,3)18(23)24-12-20(11-21)9-13(17(22)25-20)8-14-10-26-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280749 (CHEMBL4169454) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12 Show InChI InChI=1S/C21H25NO5/c1-20(2,3)19(25)26-13-21(12-23)10-14(18(24)27-21)9-15-11-22(4)17-8-6-5-7-16(15)17/h5-9,11,23H,10,12-13H2,1-4H3/b14-9+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280756 (CHEMBL4167589) Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1 Show InChI InChI=1S/C22H22ClNO5/c1-24(2)19-9-3-15(4-10-19)11-17-12-22(13-25,29-21(17)27)14-28-20(26)16-5-7-18(23)8-6-16/h3-11,25H,12-14H2,1-2H3/b17-11+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280771 (CHEMBL4160540) Show SMILES CCCCn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12 Show InChI InChI=1S/C24H31NO5/c1-5-6-11-25-14-18(19-9-7-8-10-20(19)25)12-17-13-24(15-26,30-21(17)27)16-29-22(28)23(2,3)4/h7-10,12,14,26H,5-6,11,13,15-16H2,1-4H3/b17-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280752 (CHEMBL4161221) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCC(CC3)C(C)(C)C)OC2=O)c2ccccc12 |(33.76,-11.61,;33.34,-10.13,;34.29,-8.91,;33.42,-7.64,;34.21,-6.31,;33.45,-4.98,;31.91,-4.98,;31.43,-3.51,;30.09,-4.27,;30.08,-5.81,;30.1,-2.73,;28.76,-3.49,;27.43,-2.71,;27.44,-1.17,;26.09,-3.48,;24.75,-2.69,;23.41,-3.45,;23.4,-5,;24.73,-5.78,;26.08,-5.02,;22.06,-5.75,;20.74,-4.98,;22.05,-7.29,;20.73,-6.51,;32.68,-2.6,;33.93,-3.51,;35.39,-3.04,;31.95,-8.07,;30.66,-7.25,;29.3,-7.97,;29.25,-9.51,;30.54,-10.31,;31.89,-9.6,)| Show InChI InChI=1S/C27H35NO5/c1-26(2,3)21-11-9-18(10-12-21)24(30)32-17-27(16-29)14-19(25(31)33-27)13-20-15-28(4)23-8-6-5-7-22(20)23/h5-8,13,15,18,21,29H,9-12,14,16-17H2,1-4H3/b19-13+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280757 (CHEMBL4175934) Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C21H19ClO6/c1-26-18-8-4-15(5-9-18)19(24)27-13-21(12-23)11-16(20(25)28-21)10-14-2-6-17(22)7-3-14/h2-10,23H,11-13H2,1H3/b16-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50114673 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 Show InChI InChI=1S/C23H22Cl3N3O/c1-14-21(23(30)27-18-5-3-2-4-6-18)28-29(20-12-11-17(25)13-19(20)26)22(14)15-7-9-16(24)10-8-15/h7-13,18H,2-6H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.46	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50280750 (CHEMBL4160361) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C18H21ClO5/c1-17(2,3)16(22)23-11-18(10-20)9-13(15(21)24-18)8-12-4-6-14(19)7-5-12/h4-8,20H,9-11H2,1-3H3/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280758 (CHEMBL4172461) Show SMILES OCC1(COC(=O)c2ccc(Cl)cc2)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C20H16Cl2O5/c21-16-5-1-13(2-6-16)9-15-10-20(11-23,27-19(15)25)12-26-18(24)14-3-7-17(22)8-4-14/h1-9,23H,10-12H2/b15-9+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280754 (CHEMBL4175128) Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C22H22ClNO5/c1-24(2)19-9-5-16(6-10-19)20(26)28-14-22(13-25)12-17(21(27)29-22)11-15-3-7-18(23)8-4-15/h3-11,25H,12-14H2,1-2H3/b17-11+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280772 (CHEMBL4165117) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2coc3ccccc23)C(=O)O1 Show InChI InChI=1S/C20H22O6/c1-19(2,3)18(23)25-12-20(11-21)9-13(17(22)26-20)8-14-10-24-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280745 (CHEMBL4163809) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)C3CCCCC3)OC2=O)c2ccccc12 Show InChI InChI=1S/C23H27NO5/c1-24-13-18(19-9-5-6-10-20(19)24)11-17-12-23(14-25,29-22(17)27)15-28-21(26)16-7-3-2-4-8-16/h5-6,9-11,13,16,25H,2-4,7-8,12,14-15H2,1H3/b17-11+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50108309 (2-(3H-Benzo[e]indol-1-yl)-1-methyl-ethylamine | CH...) Show SMILES CC(N)Cc1c[nH]c2ccc3ccccc3c12 Show InChI InChI=1S/C15H16N2/c1-10(16)8-12-9-17-14-7-6-11-4-2-3-5-13(11)15(12)14/h2-7,9-10,17H,8,16H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity of the compound towards 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280753 (CHEMBL4167900) Show SMILES CC(C)Cn1cc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12 Show InChI InChI=1S/C24H31NO5/c1-16(2)12-25-13-18(19-8-6-7-9-20(19)25)10-17-11-24(14-26,30-21(17)27)15-29-22(28)23(3,4)5/h6-10,13,16,26H,11-12,14-15H2,1-5H3/b17-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280763 (CHEMBL4175761) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2cn(CC3CC3)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C24H29NO5/c1-23(2,3)22(28)29-15-24(14-26)11-17(21(27)30-24)10-18-13-25(12-16-8-9-16)20-7-5-4-6-19(18)20/h4-7,10,13,16,26H,8-9,11-12,14-15H2,1-3H3/b17-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Tested for binding affinity of the compound towards human 5-hydroxytryptamine 2C receptor using [3H]-DOB as radioligand				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108306 ((S)-1-(5,6-difluoro-1H-indol-1-yl)propan-2-amine |...) Show SMILES C[C@H](N)Cn1ccc2cc(F)c(F)cc12 Show InChI InChI=1S/C11H12F2N2/c1-7(14)6-15-3-2-8-4-9(12)10(13)5-11(8)15/h2-5,7H,6,14H2,1H3/t7-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Displacement of [3H]-DOB from human 5-hydroxytryptamine 2A receptor				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50244856 (CHEMBL461754 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...) Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(OC)cc3)OC2=O)cc1 Show InChI InChI=1S/C22H22O7/c1-26-18-7-3-15(4-8-18)11-17-12-22(13-23,29-21(17)25)14-28-20(24)16-5-9-19(27-2)10-6-16/h3-11,23H,12-14H2,1-2H3/b17-11+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280755 (CHEMBL4175333) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C\c2csc3ccccc23)C(=O)O1 Show InChI InChI=1S/C20H22O5S/c1-19(2,3)18(23)24-12-20(11-21)9-13(17(22)25-20)8-14-10-26-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280746 (CHEMBL4161062) Show SMILES Cn1cc(\C=C2\CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2cc(Cl)ccc12 Show InChI InChI=1S/C21H24ClNO5/c1-20(2,3)19(26)27-12-21(11-24)9-13(18(25)28-21)7-14-10-23(4)17-6-5-15(22)8-16(14)17/h5-8,10,24H,9,11-12H2,1-4H3/b13-7-	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280764 (CHEMBL4171253) Show SMILES COc1ccc2n(C)cc(\C=C3/CC(CO)(COC(=O)C(C)(C)C)OC3=O)c2c1 Show InChI InChI=1S/C22H27NO6/c1-21(2,3)20(26)28-13-22(12-24)10-14(19(25)29-22)8-15-11-23(4)18-7-6-16(27-5)9-17(15)18/h6-9,11,24H,10,12-13H2,1-5H3/b14-8+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50244451 ((E)-(2-(hydroxymethyl)-4-((1-methyl-1H-indol-3-yl)...) Show SMILES CC(C)CC(CC(C)C)C(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C26H35NO5/c1-17(2)10-19(11-18(3)4)24(29)31-16-26(15-28)13-20(25(30)32-26)12-21-14-27(5)23-9-7-6-8-22(21)23/h6-9,12,14,17-19,28H,10-11,13,15-16H2,1-5H3/b20-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280769 (CHEMBL4167264) Show SMILES CCCCCCC(=O)OCC1(CO)C\C(=C/c2cn(C)c3ccccc23)C(=O)O1 Show InChI InChI=1S/C23H29NO5/c1-3-4-5-6-11-21(26)28-16-23(15-25)13-17(22(27)29-23)12-18-14-24(2)20-10-8-7-9-19(18)20/h7-10,12,14,25H,3-6,11,13,15-16H2,1-2H3/b17-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM21278 (5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...) Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	6.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity in a competition assay by displacement of [3H]- CP 55 940 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50280756 (CHEMBL4167589) Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1 Show InChI InChI=1S/C22H22ClNO5/c1-24(2)19-9-3-15(4-10-19)11-17-12-22(13-25,29-21(17)27)14-28-20(26)16-5-7-18(23)8-6-16/h3-11,25H,12-14H2,1-2H3/b17-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50280758 (CHEMBL4172461) Show SMILES OCC1(COC(=O)c2ccc(Cl)cc2)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C20H16Cl2O5/c21-16-5-1-13(2-6-16)9-15-10-20(11-23,27-19(15)25)12-26-18(24)14-3-7-17(22)8-4-14/h1-9,23H,10-12H2/b15-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50280751 (CHEMBL4174397) Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)cc1 Show InChI InChI=1S/C21H19ClO6/c1-26-18-8-2-14(3-9-18)10-16-11-21(12-23,28-20(16)25)13-27-19(24)15-4-6-17(22)7-5-15/h2-10,23H,11-13H2,1H3/b16-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50110942 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES CCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H22Cl3N3O/c1-3-4-5-12-26-22(29)20-14(2)21(15-6-8-16(23)9-7-15)28(27-20)19-11-10-17(24)13-18(19)25/h6-11,13H,3-5,12H2,1-2H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	6.83	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50244798 (CHEMBL461374 | rac-(E)-{2-(Hydroxymethyl)-4-[(4-me...) Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)c3ccc(cc3)N(C)C)OC2=O)cc1 Show InChI InChI=1S/C23H25NO6/c1-24(2)19-8-6-17(7-9-19)21(26)29-15-23(14-25)13-18(22(27)30-23)12-16-4-10-20(28-3)11-5-16/h4-12,25H,13-15H2,1-3H3/b18-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50280757 (CHEMBL4175934) Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C21H19ClO6/c1-26-18-8-4-15(5-9-18)19(24)27-13-21(12-23)11-16(20(25)28-21)10-14-2-6-17(22)7-3-14/h2-10,23H,11-13H2,1H3/b16-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280767 (CHEMBL4167457) Show SMILES Cn1nc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)c2ccccc12 Show InChI InChI=1S/C20H24N2O5/c1-19(2,3)18(25)26-12-20(11-23)10-13(17(24)27-20)9-15-14-7-5-6-8-16(14)22(4)21-15/h5-9,23H,10-12H2,1-4H3/b13-9+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50244644 (CHEMBL508870 | rac-(E)-(4-{[4-(Dimethylamino)pheny...) Show SMILES COc1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(cc2)N(C)C)C(=O)O1 Show InChI InChI=1S/C23H25NO6/c1-24(2)19-8-4-16(5-9-19)12-18-13-23(14-25,30-22(18)27)15-29-21(26)17-6-10-20(28-3)11-7-17/h4-12,25H,13-15H2,1-3H3/b18-12+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50280759 (CHEMBL4162516) Show SMILES CN(C)c1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1 Show InChI InChI=1S/C20H27NO5/c1-19(2,3)18(24)25-13-20(12-22)11-15(17(23)26-20)10-14-6-8-16(9-7-14)21(4)5/h6-10,22H,11-13H2,1-5H3/b15-10+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	7.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50280773 (CHEMBL4174723) Show SMILES CC(C)(C)C(=O)OCC1(CO)C\C(=C/c2csc3ccccc23)C(=O)O1 Show InChI InChI=1S/C20H22O5S/c1-19(2,3)18(23)24-12-20(11-21)9-13(17(22)25-20)8-14-10-26-16-7-5-4-6-15(14)16/h4-8,10,21H,9,11-12H2,1-3H3/b13-8+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50108309 (2-(3H-Benzo[e]indol-1-yl)-1-methyl-ethylamine | CH...) Show SMILES CC(N)Cc1c[nH]c2ccc3ccccc3c12 Show InChI InChI=1S/C15H16N2/c1-10(16)8-12-9-17-14-7-6-11-4-2-3-5-13(11)15(12)14/h2-7,9-10,17H,8,16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Commonwealth University Curated by ChEMBL					Assay Description Binding affinity towards human 5-hydroxytryptamine 2C receptor.				Bioorg Med Chem Lett 12: 155-8 (2001) BindingDB Entry DOI: 10.7270/Q21G0KKD
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50114674 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES CC(C)CNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C21H20Cl3N3O/c1-12(2)11-25-21(28)19-13(3)20(14-4-6-15(22)7-5-14)27(26-19)18-9-8-16(23)10-17(18)24/h4-10,12H,11H2,1-3H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	9.22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50280754 (CHEMBL4175128) Show SMILES CN(C)c1ccc(cc1)C(=O)OCC1(CO)C\C(=C/c2ccc(Cl)cc2)C(=O)O1 Show InChI InChI=1S/C22H22ClNO5/c1-24(2)19-9-5-16(6-10-19)20(26)28-14-22(13-25)12-17(21(27)29-22)11-15-3-7-18(23)8-4-15/h3-11,25H,12-14H2,1-2H3/b17-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	9.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Protein kinase C epsilon type (Homo sapiens (Human))	BDBM50280768 (CHEMBL4163130) Show SMILES COc1ccc(\C=C2/CC(CO)(COC(=O)C(C)(C)C)OC2=O)cc1 Show InChI InChI=1S/C19H24O6/c1-18(2,3)17(22)24-12-19(11-20)10-14(16(21)25-19)9-13-5-7-15(23-4)8-6-13/h5-9,20H,10-12H2,1-4H3/b14-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length recombinant human PKCepsilon expressed in baculovirus expression system after 5 mins by scintillation count...				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair
Cannabinoid receptor 1 (Rattus norvegicus (rat))	BDBM50114682 (5-(4-Chloro-phenyl)-1-(2,4-dichloro-phenyl)-4-meth...) Show SMILES CCCCCCNC(=O)c1nn(c(c1C)-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C23H24Cl3N3O/c1-3-4-5-6-13-27-23(30)21-15(2)22(16-7-9-17(24)10-8-16)29(28-21)20-12-11-18(25)14-19(20)26/h7-12,14H,3-6,13H2,1-2H3,(H,27,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Research Triangle Institute Curated by ChEMBL					Assay Description Binding affinity in a competition assay by displacement of [3H]- SR-141,716 from Cannabinoid receptor 1 in rat whole brain membrane preparation				J Med Chem 45: 2708-19 (2002) BindingDB Entry DOI: 10.7270/Q2TX3DQW
					More data for this Ligand-Target Pair
Ras guanyl-releasing protein 3 (Homo sapiens (Human))	BDBM50280760 (CHEMBL4168968) Show SMILES Cn1cc(\C=C2/CC(CO)(COC(=O)c3ccc(Cl)cc3)OC2=O)c2ccccc12 Show InChI InChI=1S/C23H20ClNO5/c1-25-12-17(19-4-2-3-5-20(19)25)10-16-11-23(13-26,30-22(16)28)14-29-21(27)15-6-8-18(24)9-7-15/h2-10,12,26H,11,13-14H2,1H3/b16-10+	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Seoul National University Curated by ChEMBL					Assay Description Displacement of [3H]PDBu from full length MBP-tagged human RasGRP3 expressed in Escherichia coli BL21 (DE3) after 5 mins by scintillation counting				J Med Chem 61: 6261-6276 (2018) Article DOI: 10.1021/acs.jmedchem.8b00661 BindingDB Entry DOI: 10.7270/Q28P632D
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 5910 total )  |  Next  |  Last  >>

Jump to: