Compile Data Set for Download or QSAR

Found 802 hits with Last Name = 'raubo' and Initial = 'p'   

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
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50508937 (CHEMBL4448046) Show SMILES Cn1nc2CSCc3nn(C)c(Cl)c3-c3c(Cl)ccc4c(CCCOc5cc(SCc1c2)cc1ccccc51)c(C(O)=O)n(C)c34 Show InChI InChI=1S/C34H31Cl2N5O3S2/c1-39-31-25-10-11-26(35)29(31)30-27(38-41(3)33(30)36)18-45-16-20-14-21(40(2)37-20)17-46-22-13-19-7-4-5-8-23(19)28(15-22)44-12-6-9-24(25)32(39)34(42)43/h4-5,7-8,10-11,13-15H,6,9,12,16-18H2,1-3H3,(H,42,43)	PDB MMDB NCI pathway 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
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mcl1 (unknown origin) by TR-FRET assay				J Med Chem 62: 9418-9437 (2019) Article DOI: 10.1021/acs.jmedchem.9b00716 BindingDB Entry DOI: 10.7270/Q2PV6PNH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475698 (CHEMBL206748) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCC3CCCCC3C2)CCC1 Show InChI InChI=1S/C22H33NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-3,10-11,19-20H,4-9,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475694 (CHEMBL204269) Show SMILES CC(C)(CCCN1CCCC(C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H31NO2S/c1-23(2,27(25,26)22-14-7-4-8-15-22)16-10-18-24-17-9-13-21(19-24)20-11-5-3-6-12-20/h3-8,11-12,14-15,21H,9-10,13,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50357995 (CHEMBL202780) Show SMILES CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H33NO2S/c1-21(2,25(23,24)20-11-4-3-5-12-20)14-8-15-22-16-13-18-9-6-7-10-19(18)17-22/h3-5,11-12,18-19H,6-10,13-17H2,1-2H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50297894 (2-(3-(1-(phenylsulfonyl)cyclobutyl)propyl)-1,2,3,4...) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1 Show InChI InChI=1S/C22H27NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-5,8-11H,6-7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475691 (CHEMBL206563) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCC(C2)c2ccccc2)CCC1 Show InChI InChI=1S/C23H29NO2S/c25-27(26,22-11-5-2-6-12-22)23(14-7-15-23)16-8-17-24-18-13-21(19-24)20-9-3-1-4-10-20/h1-6,9-12,21H,7-8,13-19H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475700 (CHEMBL206305) Show SMILES O=S(=O)(c1ccccc1)C1(CCCCN2CCC(C2)c2ccccc2)CCC1 Show InChI InChI=1S/C24H31NO2S/c26-28(27,23-12-5-2-6-13-23)24(16-9-17-24)15-7-8-18-25-19-14-22(20-25)21-10-3-1-4-11-21/h1-6,10-13,22H,7-9,14-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475692 (CHEMBL379238) Show SMILES CC(C)(CCCN1CCCC(C1)c1cnco1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H28N2O3S/c1-20(2,26(23,24)18-9-4-3-5-10-18)11-7-13-22-12-6-8-17(15-22)19-14-21-16-25-19/h3-5,9-10,14,16-17H,6-8,11-13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475705 (CHEMBL206747) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCN(CC2)c2ccccc2)CCC1 Show InChI InChI=1S/C23H30N2O2S/c26-28(27,22-11-5-2-6-12-22)23(13-7-14-23)15-8-16-24-17-19-25(20-18-24)21-9-3-1-4-10-21/h1-6,9-12H,7-8,13-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475699 (CHEMBL380613) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCC(CC2)c2ccccc2)CCC1 Show InChI InChI=1S/C24H31NO2S/c26-28(27,23-11-5-2-6-12-23)24(15-7-16-24)17-8-18-25-19-13-22(14-20-25)21-9-3-1-4-10-21/h1-6,9-12,22H,7-8,13-20H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50297894 (2-(3-(1-(phenylsulfonyl)cyclobutyl)propyl)-1,2,3,4...) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1 Show InChI InChI=1S/C22H27NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-5,8-11H,6-7,12-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50508939 (CHEMBL4443085) Show SMILES Cc1cc(CSCc2nn(C)c(C)c2-c2cccc3c(CCCOc4cccc5ccccc45)c([nH]c23)C(O)=O)nn1C |(21.19,-26.33,;22.68,-25.93,;23.37,-24.56,;24.9,-24.79,;25.99,-23.71,;27.47,-24.11,;28.56,-23.02,;30.05,-23.42,;30.52,-24.88,;32.06,-24.88,;32.84,-26.21,;32.54,-23.42,;34.03,-23.02,;31.29,-22.51,;31.29,-20.97,;29.96,-20.21,;29.96,-18.67,;31.29,-17.89,;32.62,-18.66,;34.09,-18.19,;34.49,-16.7,;35.97,-16.3,;36.37,-14.82,;37.86,-14.42,;38.26,-12.93,;37.17,-11.83,;37.57,-10.35,;39.06,-9.95,;40.14,-11.03,;41.62,-10.63,;42.72,-11.71,;42.34,-13.2,;40.85,-13.61,;39.75,-12.52,;34.99,-19.43,;34.09,-20.68,;32.62,-20.2,;36.53,-19.43,;37.3,-20.76,;37.3,-18.1,;25.13,-26.32,;23.76,-27.02,;23.36,-28.5,)| Show InChI InChI=1S/C34H35N5O3S/c1-21-18-24(36-38(21)3)19-43-20-29-31(22(2)39(4)37-29)28-14-8-13-26-27(33(34(40)41)35-32(26)28)15-9-17-42-30-16-7-11-23-10-5-6-12-25(23)30/h5-8,10-14,16,18,35H,9,15,17,19-20H2,1-4H3,(H,40,41)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mcl1 (unknown origin) by TR-FRET assay				J Med Chem 62: 9418-9437 (2019) Article DOI: 10.1021/acs.jmedchem.9b00716 BindingDB Entry DOI: 10.7270/Q2PV6PNH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50508950 (CHEMBL4472439) Show SMILES C[C@H]1CCN(C)C(=O)C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CN2c3ccccc3CC[C@H](NC(=O)C[C@H](Cc3ccc(Cl)cc3)N1)C2=O |r| Show InChI InChI=1S/C37H42Cl3N5O4/c1-23-15-16-44(2)36(48)21-29(18-25-9-13-30(39)31(40)19-25)42-35(47)22-45-33-6-4-3-5-26(33)10-14-32(37(45)49)43-34(46)20-28(41-23)17-24-7-11-27(38)12-8-24/h3-9,11-13,19,23,28-29,32,41H,10,14-18,20-22H2,1-2H3,(H,42,47)(H,43,46)/t23-,28-,29+,32-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mcl1 (unknown origin) by TR-FRET assay				J Med Chem 62: 9418-9437 (2019) Article DOI: 10.1021/acs.jmedchem.9b00716 BindingDB Entry DOI: 10.7270/Q2PV6PNH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475703 (CHEMBL382163) Show SMILES O=S(=O)(c1ccccc1)C1(CCN2CCC(C2)c2ccccc2)CCC1 Show InChI InChI=1S/C22H27NO2S/c24-26(25,21-10-5-2-6-11-21)22(13-7-14-22)15-17-23-16-12-20(18-23)19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	53	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475695 (CHEMBL380511) Show SMILES CC(C)(CCCN1CCCC(C1)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H26F3NO2S/c1-17(2,25(23,24)16-9-4-3-5-10-16)11-7-13-22-12-6-8-15(14-22)18(19,20)21/h3-5,9-10,15H,6-8,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50297894 (2-(3-(1-(phenylsulfonyl)cyclobutyl)propyl)-1,2,3,4...) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCc3ccccc3C2)CCC1 Show InChI InChI=1S/C22H27NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-5,8-11H,6-7,12-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	65	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475696 (CHEMBL206667) Show SMILES O=S(=O)(CCCCN1CCC2CCCCC2C1)c1ccccc1 Show InChI InChI=1S/C19H29NO2S/c21-23(22,19-10-2-1-3-11-19)15-7-6-13-20-14-12-17-8-4-5-9-18(17)16-20/h1-3,10-11,17-18H,4-9,12-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180545 (2-(3,5-bis(trifluoromethyl)benzyloxy)-6-(2-methyl-...) Show SMILES Cn1nnc(n1)C1CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |TLB:4:6:9:12.11.13,THB:14:13:9:6.7| Show InChI InChI=1S/C24H23F6N5O/c1-35-33-21(32-34-35)18-12-22(15-5-3-2-4-6-15)20(8-7-19(18)31-22)36-13-14-9-16(23(25,26)27)11-17(10-14)24(28,29)30/h2-6,9-11,18-20,31H,7-8,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50508947 (CHEMBL4460550) Show SMILES CN1CCCN[C@@H](Cc2ccc(Cl)cc2)CC(=O)N[C@H]2CCc3ccccc3N(CC(=O)N[C@H](Cc3ccc(Cl)c(Cl)c3)CC1=O)C2=O |r| Show InChI InChI=1S/C36H40Cl3N5O4/c1-43-16-4-15-40-27(17-23-7-11-26(37)12-8-23)20-33(45)42-31-14-10-25-5-2-3-6-32(25)44(36(31)48)22-34(46)41-28(21-35(43)47)18-24-9-13-29(38)30(39)19-24/h2-3,5-9,11-13,19,27-28,31,40H,4,10,14-18,20-22H2,1H3,(H,41,46)(H,42,45)/t27-,28+,31-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	155	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mcl1 (unknown origin) by TR-FRET assay				J Med Chem 62: 9418-9437 (2019) Article DOI: 10.1021/acs.jmedchem.9b00716 BindingDB Entry DOI: 10.7270/Q2PV6PNH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50475698 (CHEMBL206748) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCC3CCCCC3C2)CCC1 Show InChI InChI=1S/C22H33NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-3,10-11,19-20H,4-9,12-18H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	210	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50475694 (CHEMBL204269) Show SMILES CC(C)(CCCN1CCCC(C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H31NO2S/c1-23(2,27(25,26)22-14-7-4-8-15-22)16-10-18-24-17-9-13-21(19-24)20-11-5-3-6-12-20/h3-8,11-12,14-15,21H,9-10,13,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from the cloned human D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50508938 (CHEMBL1984039) Show SMILES Cc1nn(C)c(C)c1-c1cccc2c(CCCOc3cccc4ccccc34)c([nH]c12)C(O)=O |(-6.44,-15.46,;-4.9,-15.46,;-3.99,-16.71,;-2.53,-16.23,;-1.28,-17.14,;-2.53,-14.69,;-1.28,-13.79,;-3.99,-14.22,;-4.47,-12.75,;-5.97,-12.43,;-6.45,-10.97,;-5.42,-9.83,;-3.91,-10.15,;-2.67,-9.24,;-2.67,-7.7,;-1.33,-6.93,;-1.33,-5.39,;,-4.62,;,-3.08,;-1.33,-2.31,;-1.33,-.77,;;1.33,-.77,;2.67,,;4,-.77,;4,-2.31,;2.67,-3.08,;1.33,-2.31,;-1.42,-10.15,;-1.9,-11.61,;-3.44,-11.61,;.04,-9.67,;1.19,-10.7,;.36,-8.16,)| Show InChI InChI=1S/C28H27N3O3/c1-17-25(18(2)31(3)30-17)23-13-7-12-21-22(27(28(32)33)29-26(21)23)14-8-16-34-24-15-6-10-19-9-4-5-11-20(19)24/h4-7,9-13,15,29H,8,14,16H2,1-3H3,(H,32,33)	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mcl1 (unknown origin) by TR-FRET assay				J Med Chem 62: 9418-9437 (2019) Article DOI: 10.1021/acs.jmedchem.9b00716 BindingDB Entry DOI: 10.7270/Q2PV6PNH
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180546 (2-(3,5-bis(trifluoromethyl)benzyloxy)-1-phenyl-8-a...) Show SMILES FC(F)(F)c1cc(COC2CCC3CCC2(N3)c2ccccc2)cc(c1)C(F)(F)F |THB:8:9:16:13.14| Show InChI InChI=1S/C22H21F6NO/c23-21(24,25)16-10-14(11-17(12-16)22(26,27)28)13-30-19-7-6-18-8-9-20(19,29-18)15-4-2-1-3-5-15/h1-5,10-12,18-19,29H,6-9,13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50475694 (CHEMBL204269) Show SMILES CC(C)(CCCN1CCCC(C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H31NO2S/c1-23(2,27(25,26)22-14-7-4-8-15-22)16-10-18-24-17-9-13-21(19-24)20-11-5-3-6-12-20/h3-8,11-12,14-15,21H,9-10,13,16-19H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475701 (CHEMBL204174) Show SMILES CCOC(=O)[C@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	455	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50475694 (CHEMBL204269) Show SMILES CC(C)(CCCN1CCCC(C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H31NO2S/c1-23(2,27(25,26)22-14-7-4-8-15-22)16-10-18-24-17-9-13-21(19-24)20-11-5-3-6-12-20/h3-8,11-12,14-15,21H,9-10,13,16-19H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	540	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor in rat cortex				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475707 (CHEMBL206269) Show SMILES CC1CCN(CCCC2(CCC2)S(=O)(=O)c2ccccc2)CC1 Show InChI InChI=1S/C19H29NO2S/c1-17-9-15-20(16-10-17)14-6-13-19(11-5-12-19)23(21,22)18-7-3-2-4-8-18/h2-4,7-8,17H,5-6,9-16H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475698 (CHEMBL206748) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCC3CCCCC3C2)CCC1 Show InChI InChI=1S/C22H33NO2S/c24-26(25,21-10-2-1-3-11-21)22(13-6-14-22)15-7-16-23-17-12-19-8-4-5-9-20(19)18-23/h1-3,10-11,19-20H,4-9,12-18H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	710	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from the cloned human D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50508940 (CHEMBL4582512) Show SMILES C[C@@H]1CCN(C)C(=O)C[C@@H](Cc2ccc(Cl)c(Cl)c2)NC(=O)CN2c3ccccc3CC[C@H](NC(=O)C[C@H](Cc3ccc(Cl)cc3)N1)C2=O |r| Show InChI InChI=1S/C37H42Cl3N5O4/c1-23-15-16-44(2)36(48)21-29(18-25-9-13-30(39)31(40)19-25)42-35(47)22-45-33-6-4-3-5-26(33)10-14-32(37(45)49)43-34(46)20-28(41-23)17-24-7-11-27(38)12-8-24/h3-9,11-13,19,23,28-29,32,41H,10,14-18,20-22H2,1-2H3,(H,42,47)(H,43,46)/t23-,28+,29-,32+/m1/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	739	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mcl1 (unknown origin) by TR-FRET assay				J Med Chem 62: 9418-9437 (2019) Article DOI: 10.1021/acs.jmedchem.9b00716 BindingDB Entry DOI: 10.7270/Q2PV6PNH
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50357995 (CHEMBL202780) Show SMILES CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H33NO2S/c1-21(2,25(23,24)20-11-4-3-5-12-20)14-8-15-22-16-13-18-9-6-7-10-19(18)17-22/h3-5,11-12,18-19H,6-10,13-17H2,1-2H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from the cloned human D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475692 (CHEMBL379238) Show SMILES CC(C)(CCCN1CCCC(C1)c1cnco1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H28N2O3S/c1-20(2,26(23,24)18-9-4-3-5-10-18)11-7-13-22-12-6-8-17(15-22)19-14-21-16-25-19/h3-5,9-10,14,16-17H,6-8,11-13,15H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50475695 (CHEMBL380511) Show SMILES CC(C)(CCCN1CCCC(C1)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H26F3NO2S/c1-17(2,25(23,24)16-9-4-3-5-10-16)11-7-13-22-12-6-8-15(14-22)18(19,20)21/h3-5,9-10,15H,6-8,11-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from the cloned human D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180553 (2-(3,5-bis(trifluoromethyl)benzyloxy)-6-(1-methyl-...) Show SMILES Cn1nnnc1C1CC2(NC1CCC2OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccccc1 |TLB:5:6:9:12.11.13,THB:14:13:9:6.7| Show InChI InChI=1S/C24H23F6N5O/c1-35-21(32-33-34-35)18-12-22(15-5-3-2-4-6-15)20(8-7-19(18)31-22)36-13-14-9-16(23(25,26)27)11-17(10-14)24(28,29)30/h2-6,9-11,18-20,31H,7-8,12-13H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180554 (2-(3,5-bis(trifluoromethyl)benzyloxy)-1-phenyl-6-(...) Show SMILES FC(F)(F)c1cc(COC2CCC3NC2(CC3S(=O)(=O)c2ccccc2)c2ccccc2)cc(c1)C(F)(F)F |TLB:8:9:13:16.15,THB:17:16:13:10.11.9| Show InChI InChI=1S/C28H25F6NO3S/c29-27(30,31)20-13-18(14-21(15-20)28(32,33)34)17-38-25-12-11-23-24(39(36,37)22-9-5-2-6-10-22)16-26(25,35-23)19-7-3-1-4-8-19/h1-10,13-15,23-25,35H,11-12,16-17H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50475692 (CHEMBL379238) Show SMILES CC(C)(CCCN1CCCC(C1)c1cnco1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C20H28N2O3S/c1-20(2,26(23,24)18-9-4-3-5-10-18)11-7-13-22-12-6-8-17(15-22)19-14-21-16-25-19/h3-5,9-10,14,16-17H,6-8,11-13,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from the cloned human D2 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50357995 (CHEMBL202780) Show SMILES CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H33NO2S/c1-21(2,25(23,24)20-11-4-3-5-12-20)14-8-15-22-16-13-18-9-6-7-10-19(18)17-22/h3-5,11-12,18-19H,6-10,13-17H2,1-2H3/t18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50265896 (CHEMBL4070359) Show SMILES Cc1nn(-c2ccc(C)cn2)c2cc(ncc12)-c1ccc(cc1F)[C@H]1C[C@@H]1C(O)=O |r| Show InChI InChI=1S/C23H19FN4O2/c1-12-3-6-22(26-10-12)28-21-9-20(25-11-18(21)13(2)27-28)15-5-4-14(7-19(15)24)16-8-17(16)23(29)30/h3-7,9-11,16-17H,8H2,1-2H3,(H,29,30)/t16-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Adenosine A2A receptor (unknown origin)				J Med Chem 60: 3187-3197 (2017) Article DOI: 10.1021/acs.jmedchem.7b00210 BindingDB Entry DOI: 10.7270/Q2PZ5C9Z
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180547 (2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6...) Show SMILES C[C@@H](OC1CCC2NC1(CC2c1nnn(C)n1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:2:3:7:10.9,THB:11:10:7:4.5.3| Show InChI InChI=1S/C25H25F6N5O/c1-14(15-10-17(24(26,27)28)12-18(11-15)25(29,30)31)37-21-9-8-20-19(22-33-35-36(2)34-22)13-23(21,32-20)16-6-4-3-5-7-16/h3-7,10-12,14,19-21,32H,8-9,13H2,1-2H3/t14-,19?,20?,21?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475694 (CHEMBL204269) Show SMILES CC(C)(CCCN1CCCC(C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C23H31NO2S/c1-23(2,27(25,26)22-14-7-4-8-15-22)16-10-18-24-17-9-13-21(19-24)20-11-5-3-6-12-20/h3-8,11-12,14-15,21H,9-10,13,16-19H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.87E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180548 (2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-1...) Show SMILES C[C@@H](OC1CCC2NC1(CC2S(=O)(=O)c1ccccc1)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:2:3:7:10.9,THB:11:10:7:4.5.3| Show InChI InChI=1S/C29H27F6NO3S/c1-18(19-14-21(28(30,31)32)16-22(15-19)29(33,34)35)39-26-13-12-24-25(40(37,38)23-10-6-3-7-11-23)17-27(26,36-24)20-8-4-2-5-9-20/h2-11,14-16,18,24-26,36H,12-13,17H2,1H3/t18-,24?,25?,26?,27?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.93E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Induced myeloid leukemia cell differentiation protein Mcl-1 (Homo sapiens (Human))	BDBM50508942 (CHEMBL4449849) Show SMILES CNC(=O)C[C@@H](Cc1ccc(Cl)c(Cl)c1)NC(=O)CN1c2ccccc2CC[C@H](NC(=O)C[C@@H](N)Cc2ccc(Cl)cc2)C1=O |r| Show InChI InChI=1S/C33H36Cl3N5O4/c1-38-30(42)18-25(15-21-8-12-26(35)27(36)16-21)39-32(44)19-41-29-5-3-2-4-22(29)9-13-28(33(41)45)40-31(43)17-24(37)14-20-6-10-23(34)11-7-20/h2-8,10-12,16,24-25,28H,9,13-15,17-19,37H2,1H3,(H,38,42)(H,39,44)(H,40,43)/t24-,25+,28-/m0/s1	PDB MMDB NCI pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.99E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of Mcl1 (unknown origin) by TR-FRET assay				J Med Chem 62: 9418-9437 (2019) Article DOI: 10.1021/acs.jmedchem.9b00716 BindingDB Entry DOI: 10.7270/Q2PV6PNH
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50475695 (CHEMBL380511) Show SMILES CC(C)(CCCN1CCCC(C1)C(F)(F)F)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C18H26F3NO2S/c1-17(2,25(23,24)16-9-4-3-5-10-16)11-7-13-22-12-6-8-15(14-22)18(19,20)21/h3-5,9-10,15H,6-8,11-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	>2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50357995 (CHEMBL202780) Show SMILES CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H33NO2S/c1-21(2,25(23,24)20-11-4-3-5-12-20)14-8-15-22-16-13-18-9-6-7-10-19(18)17-22/h3-5,11-12,18-19H,6-10,13-17H2,1-2H3/t18-,19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from the cloned human 5-HT2A receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50475693 (CHEMBL203400) Show SMILES CCOC(=O)[C@@H]1CCCN(CCCC(C)(C)S(=O)(=O)c2ccccc2)C1 Show InChI InChI=1S/C20H31NO4S/c1-4-25-19(22)17-10-8-14-21(16-17)15-9-13-20(2,3)26(23,24)18-11-6-5-7-12-18/h5-7,11-12,17H,4,8-10,13-16H2,1-3H3/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT1A receptor expressed in HeLa cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 7 (Homo sapiens (Human))	BDBM50475702 (CHEMBL380863) Show SMILES O=S(=O)(c1ccccc1)C1(CCCN2CCCCC2)CCC1 Show InChI InChI=1S/C18H27NO2S/c20-22(21,17-9-3-1-4-10-17)18(11-7-12-18)13-8-16-19-14-5-2-6-15-19/h1,3-4,9-10H,2,5-8,11-16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]5-HT from the cloned human 5-HT7 receptor expressed in CHO cells				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50180550 (2-((R)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-6...) Show SMILES C[C@@H](OC1CCC2NC1(CC2c1nnnn1C)c1ccccc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |TLB:2:3:7:10.9,THB:11:10:7:4.5.3| Show InChI InChI=1S/C25H25F6N5O/c1-14(15-10-17(24(26,27)28)12-18(11-15)25(29,30)31)37-21-9-8-20-19(22-33-34-35-36(22)2)13-23(21,32-20)16-6-4-3-5-7-16/h3-7,10-12,14,19-21,32H,8-9,13H2,1-2H3/t14-,19?,20?,21?,23?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.80E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [35S]labelled MK499 from cloned hERG expressed in HEK cells				Bioorg Med Chem Lett 16: 2008-12 (2006) Article DOI: 10.1016/j.bmcl.2005.12.069 BindingDB Entry DOI: 10.7270/Q28W3CWD
					More data for this Ligand-Target Pair
Alpha-1A/Alpha-1B/Alpha-1D adrenergic receptor (Rattus norvegicus (rat)-Rattus norvegicus (Rat))	BDBM50357995 (CHEMBL202780) Show SMILES CC(C)(CCCN1CC[C@@H]2CCCC[C@H]2C1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C21H33NO2S/c1-21(2,25(23,24)20-11-4-3-5-12-20)14-8-15-22-16-13-18-9-6-7-10-19(18)17-22/h3-5,11-12,18-19H,6-10,13-17H2,1-2H3/t18-,19-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.90E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp and Dohme Research Laboratories Curated by ChEMBL					Assay Description Displacement of [3H]prazosin from alpha-1 adrenergic receptor in rat cortex				Bioorg Med Chem Lett 16: 1255-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.067 BindingDB Entry DOI: 10.7270/Q28D001P
					More data for this Ligand-Target Pair

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