Compile Data Set for Download or QSAR

Found 32 hits with Last Name = 'coval' and Initial = 'sj'   

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
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50287720 (6,7-Dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4...) Show SMILES CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12 Show InChI InChI=1S/C21H19Br3N4O/c1-28-9-16(13-7-27-21-19(13)18(29)5-14(23)20(21)24)26-8-17(28)12-6-25-15-4-10(22)2-3-11(12)15/h2-7,16-17,25-27,29H,8-9H2,1H3/t16-,17+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity against human Alpha-1b adrenergic receptor				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50287720 (6,7-Dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4...) Show SMILES CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12 Show InChI InChI=1S/C21H19Br3N4O/c1-28-9-16(13-7-27-21-19(13)18(29)5-14(23)20(21)24)26-8-17(28)12-6-25-15-4-10(22)2-3-11(12)15/h2-7,16-17,25-27,29H,8-9H2,1H3/t16-,17+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster Alpha-1b adrenergic receptor by displacing [125I]-HEAT (2-...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50287718 (6-Bromo-3-[4-(1H-indol-3-yl)-1H-imidazol-2-yl]-1H-...) Show SMILES Brc1ccc2c(c[nH]c2c1)-c1nc(c[nH]1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C19H13BrN4/c20-11-5-6-13-15(9-22-17(13)7-11)19-23-10-18(24-19)14-8-21-16-4-2-1-3-12(14)16/h1-10,21-22H,(H,23,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster Alpha-1b adrenergic receptor by displacing [125I]-HEAT (2-...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Rattus norvegicus (Rat))	BDBM50287720 (6,7-Dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4...) Show SMILES CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12 Show InChI InChI=1S/C21H19Br3N4O/c1-28-9-16(13-7-27-21-19(13)18(29)5-14(23)20(21)24)26-8-17(28)12-6-25-15-4-10(22)2-3-11(12)15/h2-7,16-17,25-27,29H,8-9H2,1H3/t16-,17+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity was determined against Alpha-1a adrenergic receptor				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50287720 (6,7-Dibromo-3-[(2S,5R)-5-(6-bromo-1H-indol-3-yl)-4...) Show SMILES CN1C[C@@H](NC[C@H]1c1c[nH]c2cc(Br)ccc12)c1c[nH]c2c(Br)c(Br)cc(O)c12 Show InChI InChI=1S/C21H19Br3N4O/c1-28-9-16(13-7-27-21-19(13)18(29)5-14(23)20(21)24)26-8-17(28)12-6-25-15-4-10(22)2-3-11(12)15/h2-7,16-17,25-27,29H,8-9H2,1H3/t16-,17+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards CHO cells expressing human Alpha-1a adrenergic receptor by displacing [125I]-HEAT (2-beta-(4-hyd...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50287719 (6-Bromo-3-[2-(1H-indol-3-yl)-1H-imidazol-4-yl]-1H-...) Show SMILES Brc1ccc2c(c[nH]c2c1)-c1c[nH]c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C19H13BrN4/c20-11-5-6-13-14(8-22-17(13)7-11)18-10-23-19(24-18)15-9-21-16-4-2-1-3-12(15)16/h1-10,21-22H,(H,23,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster Alpha-1b adrenergic receptor by displacing [125I]-HEAT (2-...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50289150 (Acetic acid (7E,11E)-(1S,2R,4R,14S,15R)-4,8,12-tri...) Show SMILES CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |t:7,12| Show InChI InChI=1S/C22H30O5/c1-13-8-6-9-14(2)12-17(25-16(4)23)18-15(3)21(24)26-19(18)20-22(5,27-20)11-7-10-13/h9-10,17-20H,3,6-8,11-12H2,1-2,4-5H3/b13-10+,14-9+/t17-,18+,19-,20+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	170	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kinetic parameter for inihibiton of farnesyl protein transferase				Bioorg Med Chem Lett 6: 909-912 (1996) Article DOI: 10.1016/0960-894X(96)00142-4 BindingDB Entry DOI: 10.7270/Q2VT1S3W
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50287723 (6-bromo-3-[4-(6-bromo-1H-3-indolyl)-1H-2-imidazoly...) Show SMILES Brc1ccc2c(c[nH]c2c1)-c1c[nH]c(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C19H12Br2N4/c20-10-1-3-12-14(7-22-16(12)5-10)18-9-24-19(25-18)15-8-23-17-6-11(21)2-4-13(15)17/h1-9,22-23H,(H,24,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster Alpha-1b adrenergic receptor by displacing [125I]-HEAT (2-...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50287719 (6-Bromo-3-[2-(1H-indol-3-yl)-1H-imidazol-4-yl]-1H-...) Show SMILES Brc1ccc2c(c[nH]c2c1)-c1c[nH]c(n1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C19H13BrN4/c20-11-5-6-13-14(8-22-17(13)7-11)18-10-23-19(24-18)15-9-21-16-4-2-1-3-12(15)16/h1-10,21-22H,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards CHO cells expressing human Alpha-1a adrenergic receptor by displacing [125I]-HEAT (2-beta-(4-hyd...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50287722 (CHEMBL436760 | [4-(6-Bromo-1H-indol-3-yl)-1H-imida...) Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster Alpha-1b adrenergic receptor by displacing [125I]-HEAT (2-...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50287718 (6-Bromo-3-[4-(1H-indol-3-yl)-1H-imidazol-2-yl]-1H-...) Show SMILES Brc1ccc2c(c[nH]c2c1)-c1nc(c[nH]1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C19H13BrN4/c20-11-5-6-13-15(9-22-17(13)7-11)19-23-10-18(24-19)14-8-21-16-4-2-1-3-12(14)16/h1-10,21-22H,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards CHO cells expressing human Alpha-1a adrenergic receptor by displacing [125I]-HEAT (2-beta-(4-hyd...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (Homo sapiens (Human))	BDBM50287721 ((6-Hydroxy-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-im...) Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H14N4O2/c25-11-5-6-13-15(9-22-17(13)7-11)19(26)20-23-10-18(24-20)14-8-21-16-4-2-1-3-12(14)16/h1-10,21-22,25H,(H,23,24)	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.15E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster Alpha-1b adrenergic receptor by displacing [125I]-HEAT (2-...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50287723 (6-bromo-3-[4-(6-bromo-1H-3-indolyl)-1H-2-imidazoly...) Show SMILES Brc1ccc2c(c[nH]c2c1)-c1c[nH]c(n1)-c1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C19H12Br2N4/c20-10-1-3-12-14(7-22-16(12)5-10)18-9-24-19(25-18)15-8-23-17-6-11(21)2-4-13(15)17/h1-9,22-23H,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards CHO cells expressing human Alpha-1a adrenergic receptor by displacing [125I]-HEAT (2-beta-(4-hyd...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50287721 ((6-Hydroxy-1H-indol-3-yl)-[5-(1H-indol-3-yl)-1H-im...) Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2ccccc12 Show InChI InChI=1S/C20H14N4O2/c25-11-5-6-13-15(9-22-17(13)7-11)19(26)20-23-10-18(24-20)14-8-21-16-4-2-1-3-12(14)16/h1-10,21-22,25H,(H,23,24)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	4.74E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards Rat-1 cells stably expressing hamster alpha1b adrenergic receptor by displacing [125I]-HEAT (2-b...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Alpha-1A adrenergic receptor (Homo sapiens (Human))	BDBM50287722 (CHEMBL436760 | [4-(6-Bromo-1H-indol-3-yl)-1H-imida...) Show SMILES Oc1ccc2c(c[nH]c2c1)C(=O)c1nc(c[nH]1)-c1c[nH]c2cc(Br)ccc12 Show InChI InChI=1S/C20H13BrN4O2/c21-10-1-3-12-14(7-22-16(12)5-10)18-9-24-20(25-18)19(27)15-8-23-17-6-11(26)2-4-13(15)17/h1-9,22-23,26H,(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	1.26E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for its binding affinity towards CHO cells expressing human Alpha-1a adrenergic receptor by displacing [125I]-HEAT (2-beta-(4-hyd...				Bioorg Med Chem Lett 6: 2103-2106 (1996) Article DOI: 10.1016/0960-894X(96)00376-9 BindingDB Entry DOI: 10.7270/Q2SJ1KMR
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50289150 (Acetic acid (7E,11E)-(1S,2R,4R,14S,15R)-4,8,12-tri...) Show SMILES CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |t:7,12| Show InChI InChI=1S/C22H30O5/c1-13-8-6-9-14(2)12-17(25-16(4)23)18-15(3)21(24)26-19(18)20-22(5,27-20)11-7-10-13/h9-10,17-20H,3,6-8,11-12H2,1-2,4-5H3/b13-10+,14-9+/t17-,18+,19-,20+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inihibtion of recombinant human farnesyl protein transferase				Bioorg Med Chem Lett 6: 909-912 (1996) Article DOI: 10.1016/0960-894X(96)00142-4 BindingDB Entry DOI: 10.7270/Q2VT1S3W
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50286606 ((4aS,12bR)-11-Chloro-10-hydroxy-4,4,4a,12b-tetrame...) Show SMILES CC1(C)CCC[C@]2(C)C3C=C4C(Cl)C(=O)C(=O)C=C4OC3CC[C@@]12C |c:17,t:9| Show InChI InChI=1S/C21H27ClO3/c1-19(2)7-5-8-20(3)13-10-12-16(11-14(23)18(24)17(12)22)25-15(13)6-9-21(19,20)4/h10-11,13,15,17H,5-9H2,1-4H3/t13?,15?,17?,20-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50070217 (3-(3-Bromo-4-methoxy-phenyl)-2-[(E)-hydroxyimino]-...) Show SMILES COc1ccc(CC(N=O)C(=O)NCCc2cnc[nH]2)cc1Br Show InChI InChI=1S/C15H17BrN4O3/c1-23-14-3-2-10(6-12(14)16)7-13(20-22)15(21)18-5-4-11-8-17-9-19-11/h2-3,6,8-9,13H,4-5,7H2,1H3,(H,17,19)(H,18,21)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor in guinea pig brain membrane				J Nat Prod 57: 175-177 (1994) Article DOI: 10.1021/np50103a029 BindingDB Entry DOI: 10.7270/Q2ZK5GPT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50276581 ((+/-)-wiedendiol B | CHEMBL456619) Show SMILES COc1ccc(O)c(O)c1\C=C1/[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C |r| Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-18(25-5)9-8-17(23)20(15)24/h8-9,13-14,19,23-24H,6-7,10-12H2,1-5H3/b16-13+/t14-,19-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	600	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for CETP inhibition by a precipitation method to separate lipoproteins after incubation of radiolabeled HDL with LDL and CETP.				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50285079 (4-Methoxy-3-((S)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7...) Show SMILES COc1ccc(O)c(O)c1CC1=C(C)CCC2C(C)(C)CCC[C@]12C |c:12| Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-18(25-5)9-8-17(23)20(15)24/h8-9,19,23-24H,6-7,10-13H2,1-5H3/t19?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for CETP inhibition by a precipitation method to separate lipoproteins after incubation of radiolabeled HDL with LDL and CETP.				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50285079 (4-Methoxy-3-((S)-2,5,5,8a-tetramethyl-3,4,4a,5,6,7...) Show SMILES COc1ccc(O)c(O)c1CC1=C(C)CCC2C(C)(C)CCC[C@]12C |c:12| Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-18(25-5)9-8-17(23)20(15)24/h8-9,19,23-24H,6-7,10-13H2,1-5H3/t19?,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50276581 ((+/-)-wiedendiol B | CHEMBL456619) Show SMILES COc1ccc(O)c(O)c1\C=C1/[C@@H](C)CC[C@H]2C(C)(C)CCC[C@]12C |r| Show InChI InChI=1S/C22H32O3/c1-14-7-10-19-21(2,3)11-6-12-22(19,4)16(14)13-15-18(25-5)9-8-17(23)20(15)24/h8-9,13-14,19,23-24H,6-7,10-12H2,1-5H3/b16-13+/t14-,19-,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM50289150 (Acetic acid (7E,11E)-(1S,2R,4R,14S,15R)-4,8,12-tri...) Show SMILES CC(=O)O[C@H]1C\C(C)=C\CC\C(C)=C\CC[C@@]2(C)O[C@@H]2[C@H]2OC(=O)C(=C)[C@H]12 |t:7,12| Show InChI InChI=1S/C22H30O5/c1-13-8-6-9-14(2)12-17(25-16(4)23)18-15(3)21(24)26-19(18)20-22(5,27-20)11-7-10-13/h9-10,17-20H,3,6-8,11-12H2,1-2,4-5H3/b13-10+,14-9+/t17-,18+,19-,20+,22+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	5.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Inihibtory activity against recombinant human Geranylgeranyl transferase type I				Bioorg Med Chem Lett 6: 909-912 (1996) Article DOI: 10.1016/0960-894X(96)00142-4 BindingDB Entry DOI: 10.7270/Q2VT1S3W
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50240865 ((4aS,6aS,12aR,12bS)-10-Hydroxy-4,4,6a,12b-tetramet...) Show SMILES CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)OC3=CC(=O)C(=O)CC3=C[C@H]21 |r,c:23,t:15| Show InChI InChI=1S/C21H28O3/c1-19(2)7-5-8-20(3)17(19)6-9-21(4)18(20)11-13-10-14(22)15(23)12-16(13)24-21/h11-12,17-18H,5-10H2,1-4H3/t17-,18+,20-,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Histamine H3 receptor (GUINEA PIG)	BDBM50292430 (CHEMBL479515 | aerophobin-1) Show SMILES COC1=C(Br)C(O)C2(CC(=NO2)C(=O)NCCc2cnc[nH]2)C=C1Br |c:2,9,24| Show InChI InChI=1S/C15H16Br2N4O4/c1-24-12-9(16)4-15(13(22)11(12)17)5-10(21-25-15)14(23)19-3-2-8-6-18-7-20-8/h4,6-7,13,22H,2-3,5H2,1H3,(H,18,20)(H,19,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor in guinea pig brain membrane				J Nat Prod 57: 175-177 (1994) Article DOI: 10.1021/np50103a029 BindingDB Entry DOI: 10.7270/Q2ZK5GPT
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50286611 (5,5,9,10-tetramethyl-18-oxatetracyclo[8.8.0.01,6.0...) Show SMILES C[C@H]1CCC2C(C)(C)CCC[C@]22Oc3ccc(O)cc3C[C@]12C Show InChI InChI=1S/C21H30O2/c1-14-6-9-18-19(2,3)10-5-11-21(18)20(14,4)13-15-12-16(22)7-8-17(15)23-21/h7-8,12,14,18,22H,5-6,9-11,13H2,1-4H3/t14-,18?,20+,21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50286609 (1-((4aS,12bR)-9,10-Diacetyl-4,4,4a,12b-tetramethyl...) Show SMILES CC(=O)C1C=C2OC3CC[C@@]4(C)C(C)(C)CCC[C@]4(C)C3C=C2C(C(C)=O)=C1C(C)=O |c:23,29,t:4| Show InChI InChI=1S/C27H36O4/c1-15(28)18-14-22-19(24(17(3)30)23(18)16(2)29)13-20-21(31-22)9-12-27(7)25(4,5)10-8-11-26(20,27)6/h13-14,18,20-21H,8-12H2,1-7H3/t18?,20?,21?,26-,27+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	2.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50242257 (2-((1R,2S,4aS)-1,2,4a,5-Tetramethyl-1,2,3,4,4a,7,8...) Show SMILES C[C@H]1CC[C@@]2(C)[C@@H](CCC=C2C)[C@]1(C)Cc1cc(O)ccc1O |r,c:9| Show InChI InChI=1S/C21H30O2/c1-14-6-5-7-19-20(14,3)11-10-15(2)21(19,4)13-16-12-17(22)8-9-18(16)23/h6,8-9,12,15,19,22-23H,5,7,10-11,13H2,1-4H3/t15-,19+,20+,21+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	2.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50286610 (13-methoxy-5,5,9,10-tetramethyl-18-oxatetracyclo[8...) Show SMILES COc1ccc(O)c2O[C@@]34CCCC(C)(C)C3CC[C@H](C)[C@@]4(C)Cc12 Show InChI InChI=1S/C22H32O3/c1-14-7-10-18-20(2,3)11-6-12-22(18)21(14,4)13-15-17(24-5)9-8-16(23)19(15)25-22/h8-9,14,18,23H,6-7,10-13H2,1-5H3/t14-,18?,21+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	4.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50240866 ((-)-ilimaquinone | 2-Hydroxy-5-methoxy-3-((1R,2S,4...) Show SMILES COC1=CC(=O)C(=O)C(C[C@]2(C)[C@@H](C)CC[C@@]3(C)[C@H]2CCCC3=C)C1=O |r,t:2| Show InChI InChI=1S/C22H30O4/c1-13-7-6-8-18-21(13,3)10-9-14(2)22(18,4)12-15-19(24)16(23)11-17(26-5)20(15)25/h11,14-15,18H,1,6-10,12H2,2-5H3/t14-,15?,18+,21+,22+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50286608 (CHEMBL60072 | Sulfircin analogue | Sulfuric acid m...) Show SMILES C[C@H](CCCc1ccoc1)[C@H](C[C@H]1C(C)=CC[C@H]2C(C)(C)CCC[C@]12C)OS([O-])(=O)=O |c:15| Show InChI InChI=1S/C25H40O5S/c1-18-10-11-23-24(3,4)13-7-14-25(23,5)21(18)16-22(30-31(26,27)28)19(2)8-6-9-20-12-15-29-17-20/h10,12,15,17,19,21-23H,6-9,11,13-14,16H2,1-5H3,(H,26,27,28)/p-1/t19-,21+,22+,23+,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	Article	n/a	n/a	>1.90E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair
Cholesteryl ester transfer protein (Homo sapiens (Human))	BDBM50286607 ((3bR,5aR,6S,7S,9aR,9bR)-7-Hydroxy-6-hydroxymethyl-...) Show SMILES C[C@]1(CO)[C@H](O)C(=O)C[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CCc2cocc12 |r| Show InChI InChI=1S/C20H28O4/c1-18-7-6-16-19(2,8-14(22)17(23)20(16,3)11-21)15(18)5-4-12-9-24-10-13(12)18/h9-10,15-17,21,23H,4-8,11H2,1-3H3/t15-,16+,17+,18-,19+,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article	n/a	n/a	1.96E+5	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was tested for Cholesteryl ester transfer protein (CETP) inhibition by CETP-SPA assay				Bioorg Med Chem Lett 5: 605-610 (1995) Article DOI: 10.1016/0960-894X(95)00081-4 BindingDB Entry DOI: 10.7270/Q20R9PWJ
					More data for this Ligand-Target Pair