Compile Data Set for Download or QSAR

Found 320 hits with Last Name = 'arakawa' and Initial = 'h'   

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
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040108 (11-[2-(3,4-Dihydro-1H-isoquinolin-2-yl)-ethylsulfa...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCc4ccccc4C3)c2c1 Show InChI InChI=1S/C26H25NO3S/c28-26(29)19-9-10-24-23(15-19)25(22-8-4-3-7-21(22)17-30-24)31-14-13-27-12-11-18-5-1-2-6-20(18)16-27/h1-10,15,25H,11-14,16-17H2,(H,28,29)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002084 (11-(2-Dimethylamino-ethylsulfanyl)-6,11-dihydro-di...) Show SMILES CN(C)CCSC1c2ccccc2COc2ccc(cc12)C(O)=O Show InChI InChI=1S/C19H21NO3S/c1-20(2)9-10-24-18-15-6-4-3-5-14(15)12-23-17-8-7-13(19(21)22)11-16(17)18/h3-8,11,18H,9-10,12H2,1-2H3,(H,21,22)	UniProtKB/SwissProt 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
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040114 (CHEMBL336198 | {11-[2-(4-Benzyl-piperidin-1-yl)-et...) Show SMILES OC(=O)Cc1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C30H33NO3S/c32-29(33)20-24-10-11-28-27(19-24)30(26-9-5-4-8-25(26)21-34-28)35-17-16-31-14-12-23(13-15-31)18-22-6-2-1-3-7-22/h1-11,19,23,30H,12-18,20-21H2,(H,32,33)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50002088 (CHEMBL302005 | [11-(2-Dimethylamino-ethylidene)-6,...) Show SMILES CN(C)C\C=C1/c2ccccc2COc2ccc(CC(O)=O)cc12 Show InChI InChI=1S/C20H21NO3/c1-21(2)10-9-17-16-6-4-3-5-15(16)13-24-19-8-7-14(11-18(17)19)12-20(22)23/h3-9,11H,10,12-13H2,1-2H3,(H,22,23)/b17-9+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040109 (3-{11-[2-(4-Benzyl-piperidin-1-yl)-ethylsulfanyl]-...) Show SMILES OC(=O)CCc1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C31H35NO3S/c33-30(34)13-11-24-10-12-29-28(21-24)31(27-9-5-4-8-26(27)22-35-29)36-19-18-32-16-14-25(15-17-32)20-23-6-2-1-3-7-23/h1-10,12,21,25,31H,11,13-20,22H2,(H,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040112 (11-[2-(4-Benzyl-piperazin-1-yl)-ethylsulfanyl]-6,1...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCN(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C28H30N2O3S/c31-28(32)22-10-11-26-25(18-22)27(24-9-5-4-8-23(24)20-33-26)34-17-16-29-12-14-30(15-13-29)19-21-6-2-1-3-7-21/h1-11,18,27H,12-17,19-20H2,(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50175516 (CHEMBL372588 | {11-[2-(4-Benzyl-piperidin-1-yl)-et...) Show SMILES OC(=O)Cc1ccc2OCc3ccccc3\C(=C\CN3CCC(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C30H31NO3/c32-30(33)20-24-10-11-29-28(19-24)27(26-9-5-4-8-25(26)21-34-29)14-17-31-15-12-23(13-16-31)18-22-6-2-1-3-7-22/h1-11,14,19,23H,12-13,15-18,20-21H2,(H,32,33)/b27-14-	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040110 (2-{11-[2-(4-Benzyl-piperidin-1-yl)-ethylsulfanyl]-...) Show SMILES CC(C)(C(O)=O)c1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C32H37NO3S/c1-32(2,31(34)35)26-12-13-29-28(21-26)30(27-11-7-6-10-25(27)22-36-29)37-19-18-33-16-14-24(15-17-33)20-23-8-4-3-5-9-23/h3-13,21,24,30H,14-20,22H2,1-2H3,(H,34,35)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040111 (CHEMBL133080 | {11-[2-(4-Benzyl-piperidin-1-yl)-et...) Show SMILES OC(=O)Cc1ccc2OCc3ccccc3\C(=C/CN3CCC(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C30H31NO3/c32-30(33)20-24-10-11-29-28(19-24)27(26-9-5-4-8-25(26)21-34-29)14-17-31-15-12-23(13-16-31)18-22-6-2-1-3-7-22/h1-11,14,19,23H,12-13,15-18,20-21H2,(H,32,33)/b27-14+	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040121 (11-[2-(4-Phenyl-piperidin-1-yl)-ethylsulfanyl]-6,1...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCC(CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C28H29NO3S/c30-28(31)22-10-11-26-25(18-22)27(24-9-5-4-8-23(24)19-32-26)33-17-16-29-14-12-21(13-15-29)20-6-2-1-3-7-20/h1-11,18,21,27H,12-17,19H2,(H,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040113 (11-{2-[4-(4-Fluoro-phenyl)-piperazin-1-yl]-ethylsu...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCN(CC3)c3ccc(F)cc3)c2c1 Show InChI InChI=1S/C27H27FN2O3S/c28-21-6-8-22(9-7-21)30-13-11-29(12-14-30)15-16-34-26-23-4-2-1-3-20(23)18-33-25-10-5-19(27(31)32)17-24(25)26/h1-10,17,26H,11-16,18H2,(H,31,32)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	41	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040116 (11-(2-Morpholin-4-yl-ethylsulfanyl)-6,11-dihydro-d...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCOCC3)c2c1 Show InChI InChI=1S/C21H23NO4S/c23-21(24)15-5-6-19-18(13-15)20(17-4-2-1-3-16(17)14-26-19)27-12-9-22-7-10-25-11-8-22/h1-6,13,20H,7-12,14H2,(H,23,24)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040119 (11-[2-(4-Phenyl-piperazin-1-yl)-ethylsulfanyl]-6,1...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCN(CC3)c3ccccc3)c2c1 Show InChI InChI=1S/C27H28N2O3S/c30-27(31)20-10-11-25-24(18-20)26(23-9-5-4-6-21(23)19-32-25)33-17-16-28-12-14-29(15-13-28)22-7-2-1-3-8-22/h1-11,18,26H,12-17,19H2,(H,30,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040117 (11-{2-[4-(2-Oxo-2,3-dihydro-benzoimidazol-1-yl)-pi...) Show SMILES OC(=O)c1ccc2OCc3ccccc3C(SCCN3CCC(CC3)n3c4ccccc4[nH]c3=O)c2c1 Show InChI InChI=1S/C29H29N3O4S/c33-28(34)19-9-10-26-23(17-19)27(22-6-2-1-5-20(22)18-36-26)37-16-15-31-13-11-21(12-14-31)32-25-8-4-3-7-24(25)30-29(32)35/h1-10,17,21,27H,11-16,18H2,(H,30,35)(H,33,34)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM50040115 (CHEMBL133778 | Sodium; 11-[2-(4-benzyl-piperidin-1...) Show SMILES [O-]C(=O)c1ccc2OCc3ccccc3C(SCCN3CCC(Cc4ccccc4)CC3)c2c1 Show InChI InChI=1S/C29H31NO3S/c31-29(32)23-10-11-27-26(19-23)28(25-9-5-4-8-24(25)20-33-27)34-17-16-30-14-12-22(13-15-30)18-21-6-2-1-3-7-21/h1-11,19,22,28H,12-18,20H2,(H,31,32)/p-1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co. Curated by ChEMBL					Assay Description Inhibition of the specific binding of [3H]-pyrilamine to guinea pig cerebellum histamine H1 receptor				J Med Chem 36: 417-20 (1993) BindingDB Entry DOI: 10.7270/Q2Q23Z9K
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50227346 (CHEMBL319928) Show SMILES CCN(CC)CCNC1c2cccnc2COc2ccccc12 Show InChI InChI=1S/C19H25N3O/c1-3-22(4-2)13-12-21-19-15-9-7-11-20-17(15)14-23-18-10-6-5-8-16(18)19/h5-11,19,21H,3-4,12-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity was measured for Muscarinic acetylcholine receptor				J Med Chem 31: 779-85 (1988) BindingDB Entry DOI: 10.7270/Q2FN18D8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50227346 (CHEMBL319928) Show SMILES CCN(CC)CCNC1c2cccnc2COc2ccccc12 Show InChI InChI=1S/C19H25N3O/c1-3-22(4-2)13-12-21-19-15-9-7-11-20-17(15)14-23-18-10-6-5-8-16(18)19/h5-11,19,21H,3-4,12-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity was measured for Muscarinic acetylcholine receptor				J Med Chem 31: 779-85 (1988) BindingDB Entry DOI: 10.7270/Q2FN18D8
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1/M2/M3/M4/M5 (RAT)	BDBM50227346 (CHEMBL319928) Show SMILES CCN(CC)CCNC1c2cccnc2COc2ccccc12 Show InChI InChI=1S/C19H25N3O/c1-3-22(4-2)13-12-21-19-15-9-7-11-20-17(15)14-23-18-10-6-5-8-16(18)19/h5-11,19,21H,3-4,12-14H2,1-2H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd. Curated by ChEMBL					Assay Description Binding affinity was measured for Muscarinic acetylcholine receptor				J Med Chem 31: 779-85 (1988) BindingDB Entry DOI: 10.7270/Q2FN18D8
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062251 (CHEMBL285263 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062250 (CHEMBL36407 | trisodium 5-[2-benzo[d][1,3]dioxol-5...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32-,33+/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062249 (CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062249 (CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.60	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase in competitive manner with respect to FPP (farnesyl diphosphate) at 0.6 microM FPP and 0.36 microM Ras peptide				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062252 (CHEMBL36339 | trisodium 5-[2-benzo[d][1,3]dioxol-5...) Show SMILES C[C@H]([C@@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32-,33+/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040815 (2-Methylsulfanyl-6,11-dihydro-dibenzo[b,e]oxepine-...) Show SMILES CSc1ccc2OCc3ccccc3C(C(=O)Nc3c(cccc3C(C)C)C(C)C)c2c1 Show InChI InChI=1S/C28H31NO2S/c1-17(2)21-11-8-12-22(18(3)4)27(21)29-28(30)26-23-10-7-6-9-19(23)16-31-25-14-13-20(32-5)15-24(25)26/h6-15,17-18,26H,16H2,1-5H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062248 (CHEMBL36515 | trisodium 5-[2-benzo[d][1,3]dioxol-5...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32-,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062249 (CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.20	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase in competitive manner with respect to FPP (farnesyl diphosphate) at 0.6 microM FPP and 3.6 microM Ras peptide.				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062256 (CHEMBL284073 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@H]([C@@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@H]1OC(O[C@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284967 (1-[1-(2,6-Dichloro-phenyl)-1H-benzoimidazol-2-yl]-...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1c(Cl)cccc1Cl |(13.12,-3.34,;13.91,-4.67,;12.42,-5.07,;15.45,-4.67,;16.2,-3.32,;17.76,-3.31,;18.53,-4.64,;17.76,-5.98,;18.53,-7.31,;17.78,-8.64,;20.07,-7.3,;16.22,-5.98,;15.47,-7.33,;13.93,-7.33,;13.14,-6,;13.17,-8.66,;11.63,-8.68,;10.71,-7.43,;9.25,-7.92,;7.91,-7.15,;6.58,-7.93,;6.58,-9.47,;7.91,-10.24,;9.25,-9.46,;10.72,-9.92,;10.72,-11.46,;9.36,-12.23,;8.05,-11.44,;9.36,-13.75,;10.69,-14.54,;12.02,-13.77,;12.02,-12.23,;13.37,-11.46,)| Show InChI InChI=1S/C26H26Cl2N4O/c1-15(2)17-9-7-10-18(16(3)4)23(17)30-26(33)31-25-29-21-13-5-6-14-22(21)32(25)24-19(27)11-8-12-20(24)28/h5-16H,1-4H3,(H2,29,30,31,33)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284976 (1-[1-(2-Chloro-phenyl)-1H-benzoimidazol-2-yl]-3-(2...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1Cl |(20.07,-7.3,;18.53,-7.31,;17.78,-8.64,;17.76,-5.98,;18.53,-4.64,;17.76,-3.31,;16.2,-3.32,;15.45,-4.67,;13.91,-4.67,;13.12,-3.34,;12.42,-5.07,;16.22,-5.98,;15.47,-7.33,;13.93,-7.33,;13.14,-6,;13.17,-8.66,;11.63,-8.68,;10.71,-7.43,;9.25,-7.92,;7.91,-7.15,;6.58,-7.93,;6.58,-9.47,;7.91,-10.24,;9.25,-9.46,;10.72,-9.92,;10.72,-11.46,;12.02,-12.23,;12.02,-13.77,;10.69,-14.54,;9.36,-13.75,;9.36,-12.23,;8.05,-11.44,)| Show InChI InChI=1S/C26H27ClN4O/c1-16(2)18-10-9-11-19(17(3)4)24(18)29-26(32)30-25-28-21-13-6-8-15-23(21)31(25)22-14-7-5-12-20(22)27/h5-17H,1-4H3,(H2,28,29,30,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284971 (1-(2,6-Diisopropyl-phenyl)-3-(1-o-tolyl-1H-benzoim...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1C |(20.07,-7.3,;18.53,-7.31,;17.78,-8.64,;17.76,-5.98,;18.53,-4.64,;17.76,-3.31,;16.2,-3.32,;15.45,-4.67,;13.91,-4.67,;13.12,-3.34,;12.42,-5.07,;16.22,-5.98,;15.47,-7.33,;13.93,-7.33,;13.14,-6,;13.17,-8.66,;11.63,-8.68,;10.71,-7.43,;9.25,-7.92,;7.91,-7.15,;6.58,-7.93,;6.58,-9.47,;7.91,-10.24,;9.25,-9.46,;10.72,-9.92,;10.72,-11.46,;12.02,-12.23,;12.02,-13.77,;10.69,-14.54,;9.36,-13.75,;9.36,-12.23,;8.05,-11.44,)| Show InChI InChI=1S/C27H30N4O/c1-17(2)20-12-10-13-21(18(3)4)25(20)29-27(32)30-26-28-22-14-7-9-16-24(22)31(26)23-15-8-6-11-19(23)5/h6-18H,1-5H3,(H2,28,29,30,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284972 (1-(2,6-Diisopropyl-phenyl)-3-[1-(2-methoxy-phenyl)...) Show SMILES COc1ccccc1-n1c(NC(=O)Nc2c(cccc2C(C)C)C(C)C)nc2ccccc12 |(7.05,-13.56,;7.82,-12.23,;9.36,-12.23,;9.36,-13.75,;10.69,-14.54,;12.02,-13.77,;12.02,-12.23,;10.72,-11.46,;10.72,-9.92,;11.63,-8.68,;13.17,-8.66,;13.93,-7.33,;13.14,-6,;15.47,-7.33,;16.22,-5.98,;17.76,-5.98,;18.53,-4.64,;17.76,-3.31,;16.2,-3.32,;15.45,-4.67,;13.91,-4.67,;13.12,-3.34,;12.42,-5.07,;18.53,-7.31,;20.07,-7.3,;17.78,-8.64,;10.71,-7.43,;9.25,-7.92,;7.91,-7.15,;6.58,-7.93,;6.58,-9.47,;7.91,-10.24,;9.25,-9.46,)| Show InChI InChI=1S/C27H30N4O2/c1-17(2)19-11-10-12-20(18(3)4)25(19)29-27(32)30-26-28-21-13-6-7-14-22(21)31(26)23-15-8-9-16-24(23)33-5/h6-18H,1-5H3,(H2,28,29,30,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284979 (1-[1-(3-Chloro-phenyl)-1H-benzoimidazol-2-yl]-3-(2...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1cccc(Cl)c1 Show InChI InChI=1S/C26H27ClN4O/c1-16(2)20-11-8-12-21(17(3)4)24(20)29-26(32)30-25-28-22-13-5-6-14-23(22)31(25)19-10-7-9-18(27)15-19/h5-17H,1-4H3,(H2,28,29,30,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284973 (1-[1-(2-Bromo-phenyl)-1H-benzoimidazol-2-yl]-3-(2,...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1Br |(20.07,-7.3,;18.53,-7.31,;17.78,-8.64,;17.76,-5.98,;18.53,-4.64,;17.76,-3.31,;16.2,-3.32,;15.45,-4.67,;13.91,-4.67,;13.12,-3.34,;12.42,-5.07,;16.22,-5.98,;15.47,-7.33,;13.93,-7.33,;13.14,-6,;13.17,-8.66,;11.63,-8.68,;10.71,-7.43,;9.25,-7.92,;7.91,-7.15,;6.58,-7.93,;6.58,-9.47,;7.91,-10.24,;9.25,-9.46,;10.72,-9.92,;10.72,-11.46,;12.02,-12.23,;12.02,-13.77,;10.69,-14.54,;9.36,-13.75,;9.36,-12.23,;8.05,-11.44,)| Show InChI InChI=1S/C26H27BrN4O/c1-16(2)18-10-9-11-19(17(3)4)24(18)29-26(32)30-25-28-21-13-6-8-15-23(21)31(25)22-14-7-5-12-20(22)27/h5-17H,1-4H3,(H2,28,29,30,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040830 (2-Bromo-6,11-dihydro-dibenzo[b,e]oxepine-11-carbox...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2ccc(Br)cc12 Show InChI InChI=1S/C27H28BrNO2/c1-16(2)20-10-7-11-21(17(3)4)26(20)29-27(30)25-22-9-6-5-8-18(22)15-31-24-13-12-19(28)14-23(24)25/h5-14,16-17,25H,15H2,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062258 (2-{[((E)-2-Benzo[1,3]dioxol-5-yl-5-benzooxazol-2-y...) Show SMILES CC(C(C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O Show InChI InChI=1S/C37H34N2O8/c1-23(39(35(40)19-28(37(43)44)20-36(41)42)21-24-13-14-25-7-2-3-8-26(25)17-24)29(27-15-16-32-33(18-27)46-22-45-32)9-6-12-34-38-30-10-4-5-11-31(30)47-34/h2-8,10-18,23,28-29H,9,19-22H2,1H3,(H,41,42)(H,43,44)/b12-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040849 (5H-Dibenzo[a,d]cycloheptene-5-carboxylic acid (2,6...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2C=Cc2ccccc12 |c:24| Show InChI InChI=1S/C28H29NO/c1-18(2)22-14-9-15-23(19(3)4)27(22)29-28(30)26-24-12-7-5-10-20(24)16-17-21-11-6-8-13-25(21)26/h5-19,26H,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040854 (11-(2,6-Diisopropyl-phenylcarbamoyl)-2-methyl-6,11...) Show SMILES COC(=O)c1cc(C)cc2C(C(=O)Nc3c(cccc3C(C)C)C(C)C)c3ccccc3COc12 Show InChI InChI=1S/C30H33NO4/c1-17(2)21-12-9-13-22(18(3)4)27(21)31-29(32)26-23-11-8-7-10-20(23)16-35-28-24(26)14-19(5)15-25(28)30(33)34-6/h7-15,17-18,26H,16H2,1-6H3,(H,31,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062257 (2-({[(E)-5-Benzooxazol-2-yl-2-(4-chloro-phenyl)-1-...) Show SMILES CC(C(C\C=C\c1nc2ccccc2o1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O Show InChI InChI=1S/C36H33ClN2O6/c1-23(30(26-15-17-29(37)18-16-26)9-6-12-33-38-31-10-4-5-11-32(31)45-33)39(34(40)20-28(36(43)44)21-35(41)42)22-24-13-14-25-7-2-3-8-27(25)19-24/h2-8,10-19,23,28,30H,9,20-22H2,1H3,(H,41,42)(H,43,44)/b12-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	28	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284965 (1-[3-(2-Chloro-phenyl)-3H-imidazo[4,5-b]pyridin-2-...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2cccnc2n1-c1ccccc1Cl |(20.07,-7.3,;18.53,-7.31,;17.78,-8.64,;17.76,-5.98,;18.53,-4.64,;17.76,-3.31,;16.2,-3.32,;15.45,-4.67,;13.91,-4.67,;13.12,-3.34,;12.42,-5.07,;16.22,-5.98,;15.47,-7.33,;13.93,-7.33,;13.14,-6,;13.17,-8.66,;11.63,-8.68,;10.71,-7.43,;9.25,-7.92,;7.91,-7.15,;6.58,-7.93,;6.58,-9.47,;7.91,-10.24,;9.25,-9.46,;10.72,-9.92,;10.72,-11.46,;12.02,-12.23,;12.02,-13.77,;10.69,-14.54,;9.36,-13.75,;9.36,-12.23,;7.82,-12.23,)| Show InChI InChI=1S/C25H26ClN5O/c1-15(2)17-9-7-10-18(16(3)4)22(17)29-25(32)30-24-28-20-12-8-14-27-23(20)31(24)21-13-6-5-11-19(21)26/h5-16H,1-4H3,(H2,28,29,30,32)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040828 (2-Iodo-6,11-dihydro-dibenzo[b,e]oxepine-11-carboxy...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2ccc(I)cc12 Show InChI InChI=1S/C27H28INO2/c1-16(2)20-10-7-11-21(17(3)4)26(20)29-27(30)25-22-9-6-5-8-18(22)15-31-24-13-12-19(28)14-23(24)25/h5-14,16-17,25H,15H2,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040831 (3-Bromo-10,11-dihydro-5H-dibenzo[a,d]cycloheptene-...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2CCc2ccc(Br)cc12 Show InChI InChI=1S/C28H30BrNO/c1-17(2)22-10-7-11-23(18(3)4)27(22)30-28(31)26-24-9-6-5-8-19(24)12-13-20-14-15-21(29)16-25(20)26/h5-11,14-18,26H,12-13H2,1-4H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	39	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040826 (10,11-Dihydro-5H-dibenzo[a,d]cycloheptene-5-carbox...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2CCc2ccccc12 Show InChI InChI=1S/C28H31NO/c1-18(2)22-14-9-15-23(19(3)4)27(22)29-28(30)26-24-12-7-5-10-20(24)16-17-21-11-6-8-13-25(21)26/h5-15,18-19,26H,16-17H2,1-4H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284978 (1-(2,6-Diisopropyl-phenyl)-3-[1-(2-dimethylamino-p...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1N(C)C |(12.42,-5.07,;13.91,-4.67,;13.12,-3.34,;15.45,-4.67,;16.2,-3.32,;17.76,-3.31,;18.53,-4.64,;17.76,-5.98,;18.53,-7.31,;17.78,-8.64,;20.07,-7.3,;16.22,-5.98,;15.47,-7.33,;13.93,-7.33,;13.14,-6,;13.17,-8.66,;11.63,-8.68,;10.71,-7.43,;9.25,-7.92,;7.91,-7.15,;6.58,-7.93,;6.58,-9.47,;7.91,-10.24,;9.25,-9.46,;10.72,-9.92,;10.72,-11.46,;12.02,-12.23,;12.02,-13.77,;10.69,-14.54,;9.36,-13.75,;9.36,-12.23,;7.82,-12.23,;7.05,-10.88,;7.05,-13.56,)| Show InChI InChI=1S/C28H33N5O/c1-18(2)20-12-11-13-21(19(3)4)26(20)30-28(34)31-27-29-22-14-7-8-15-23(22)33(27)25-17-10-9-16-24(25)32(5)6/h7-19H,1-6H3,(H2,29,30,31,34)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062249 (CHEMBL285434 | trisodium 5-[2-benzo[d][1,3]dioxol-...) Show SMILES C[C@@H]([C@H](C\C=C\c1nc2ccccc2o1)c1ccc2OCOc2c1)N(Cc1ccc2ccccc2c1)C(=O)[C@@H]1OC(O[C@@H]1C([O-])=O)(C([O-])=O)C([O-])=O Show InChI InChI=1S/C38H32N2O12/c1-21(26(25-15-16-29-30(18-25)49-20-48-29)9-6-12-31-39-27-10-4-5-11-28(27)50-31)40(19-22-13-14-23-7-2-3-8-24(23)17-22)34(41)32-33(35(42)43)52-38(51-32,36(44)45)37(46)47/h2-8,10-18,21,26,32-33H,9,19-20H2,1H3,(H,42,43)(H,44,45)(H,46,47)/p-3/b12-6+/t21-,26-,32+,33-/m0/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of FTase in competitive manner with respect to FPP (farnesyl diphosphate) at 6.0 microM FPP and 0.36 microM Ras peptide.				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040855 (2-Methyl-6,11-dihydro-dibenzo[b,e]oxepine-11-carbo...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2ccc(C)cc12 Show InChI InChI=1S/C28H31NO2/c1-17(2)21-11-8-12-22(18(3)4)27(21)29-28(30)26-23-10-7-6-9-20(23)16-31-25-14-13-19(5)15-24(25)26/h6-15,17-18,26H,16H2,1-5H3,(H,29,30)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50062253 (2-({[(E)-2-(4-Chloro-phenyl)-1-methyl-5-naphthalen...) Show SMILES CC(C(C\C=C\c1ccc2ccccc2c1)c1ccc(Cl)cc1)N(Cc1ccc2ccccc2c1)C(=O)CC(CC(O)=O)C(O)=O Show InChI InChI=1S/C39H36ClNO5/c1-26(36(31-17-19-35(40)20-18-31)12-6-7-27-13-15-29-8-2-4-10-32(29)21-27)41(37(42)23-34(39(45)46)24-38(43)44)25-28-14-16-30-9-3-5-11-33(30)22-28/h2-11,13-22,26,34,36H,12,23-25H2,1H3,(H,43,44)(H,45,46)/b7-6+	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
Tsukuba Research Institute Curated by ChEMBL					Assay Description Inhibition of Farnesyltransferase from rat brain				J Med Chem 41: 143-7 (1998) Article DOI: 10.1021/jm970540f BindingDB Entry DOI: 10.7270/Q23B5Z82
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040851 (3-Methyl-10,11-dihydro-5H-dibenzo[a,d]cycloheptene...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2CCc2ccc(C)cc12 Show InChI InChI=1S/C29H33NO/c1-18(2)23-11-8-12-24(19(3)4)28(23)30-29(31)27-25-10-7-6-9-21(25)15-16-22-14-13-20(5)17-26(22)27/h6-14,17-19,27H,15-16H2,1-5H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040841 (2,9-Dibromo-6,11-dihydro-dibenzo[b,e]oxepine-11-ca...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C1c2cc(Br)ccc2COc2ccc(Br)cc12 Show InChI InChI=1S/C27H27Br2NO2/c1-15(2)20-6-5-7-21(16(3)4)26(20)30-27(31)25-22-12-18(28)9-8-17(22)14-32-24-11-10-19(29)13-23(24)25/h5-13,15-16,25H,14H2,1-4H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	58	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50040848 (2,3-Dimethyl-6,11-dihydro-dibenzo[b,e]oxepine-11-c...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)C1c2ccccc2COc2cc(C)c(C)cc12 Show InChI InChI=1S/C29H33NO2/c1-17(2)22-12-9-13-23(18(3)4)28(22)30-29(31)27-24-11-8-7-10-21(24)16-32-26-15-20(6)19(5)14-25(26)27/h7-15,17-18,27H,16H2,1-6H3,(H,30,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Company Curated by ChEMBL					Assay Description In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase in liver microsomes isolated from cholesterol-fed rabbits				J Med Chem 37: 804-10 (1994) BindingDB Entry DOI: 10.7270/Q20C4TTM
					More data for this Ligand-Target Pair
Acyl-CoA:cholesterol acyltransferase (Oryctolagus cuniculus)	BDBM50284970 (1-(2,6-Diisopropyl-phenyl)-3-(1-phenyl-1H-benzoimi...) Show SMILES CC(C)c1cccc(C(C)C)c1NC(=O)Nc1nc2ccccc2n1-c1ccccc1 Show InChI InChI=1S/C26H28N4O/c1-17(2)20-13-10-14-21(18(3)4)24(20)28-26(31)29-25-27-22-15-8-9-16-23(22)30(25)19-11-6-5-7-12-19/h5-18H,1-4H3,(H2,27,28,29,31)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	66	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibitory activity towards acyl CoA cholesterol acyltransferase (ACAT) of cholesterol-fed rabbits by the displacement of [14C]-oleolyl-CoA				Bioorg Med Chem Lett 5: 1829-1832 (1995) Article DOI: 10.1016/0960-894X(95)00296-6 BindingDB Entry DOI: 10.7270/Q2VD6ZDR
					More data for this Ligand-Target Pair

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