Compile Data Set for Download or QSAR

Found 80 hits with Last Name = 'sanchez' and Initial = 'ja'   

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 receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434389 (CHEMBL2387288) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cccs2)cc1 Show InChI InChI=1S/C21H28N4OS/c1-16-4-2-11-25(16)19-10-12-24(15-19)18-8-6-17(7-9-18)23-21(26)22-14-20-5-3-13-27-20/h3,5-9,13,16,19H,2,4,10-12,14-15H2,1H3,(H2,22,23,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434382 (CHEMBL2387309) Show SMILES Fc1ccc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c(F)c1 Show InChI InChI=1S/C21H25F2N3O2/c22-16-5-10-20(19(23)15-16)25-21(27)24-17-6-8-18(9-7-17)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,24,25,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434405 (CHEMBL2387306) Show SMILES Clc1cc(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c1 Show InChI InChI=1S/C21H25Cl2N3O2/c22-16-13-17(23)15-19(14-16)25-21(27)24-18-5-7-20(8-6-18)28-12-4-11-26-9-2-1-3-10-26/h5-8,13-15H,1-4,9-12H2,(H2,24,25,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434401 (CHEMBL2387314) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NC2CCCCC2)cc1 Show InChI InChI=1S/C22H34N4O/c1-17-6-5-14-26(17)21-13-15-25(16-21)20-11-9-19(10-12-20)24-22(27)23-18-7-3-2-4-8-18/h9-12,17-18,21H,2-8,13-16H2,1H3,(H2,23,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434400 (CHEMBL2387315) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NC2CCCCC2)c(C)c1 Show InChI InChI=1S/C23H36N4O/c1-17-15-20(26-14-12-21(16-26)27-13-6-7-18(27)2)10-11-22(17)25-23(28)24-19-8-4-3-5-9-19/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H2,24,25,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434392 (CHEMBL2387285) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCCCC2)cc1 Show InChI InChI=1S/C21H32N4O/c1-17-6-5-14-25(17)20-11-15-24(16-20)19-9-7-18(8-10-19)22-21(26)23-12-3-2-4-13-23/h7-10,17,20H,2-6,11-16H2,1H3,(H,22,26)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434387 (CHEMBL2387290) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C23H28Cl2N4O/c1-16-3-2-9-29(16)22-8-10-28(15-22)21-6-4-20(5-7-21)27-23(30)26-14-17-11-18(24)13-19(25)12-17/h4-7,11-13,16,22H,2-3,8-10,14-15H2,1H3,(H2,26,27,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434388 (CHEMBL2387289) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cccs2)cc1C Show InChI InChI=1S/C22H30N4OS/c1-16-13-18(24-22(27)23-14-20-6-4-12-28-20)7-8-21(16)25-11-9-19(15-25)26-10-3-5-17(26)2/h4,6-8,12-13,17,19H,3,5,9-11,14-15H2,1-2H3,(H2,23,24,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434393 (CHEMBL2387284) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(CC2)c2ccccc2)cc1 Show InChI InChI=1S/C26H35N5O/c1-21-6-5-14-31(21)25-13-15-30(20-25)24-11-9-22(10-12-24)27-26(32)29-18-16-28(17-19-29)23-7-3-2-4-8-23/h2-4,7-12,21,25H,5-6,13-20H2,1H3,(H,27,32)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434399 (CHEMBL2387316) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NC2CCCCC2)cc1C Show InChI InChI=1S/C23H36N4O/c1-17-15-20(25-23(28)24-19-8-4-3-5-9-19)10-11-22(17)26-14-12-21(16-26)27-13-6-7-18(27)2/h10-11,15,18-19,21H,3-9,12-14,16H2,1-2H3,(H2,24,25,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434397 (CHEMBL2387318) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(C)CC2)c(C)c1 Show InChI InChI=1S/C22H35N5O/c1-17-15-19(26-10-8-20(16-26)27-9-4-5-18(27)2)6-7-21(17)23-22(28)25-13-11-24(3)12-14-25/h6-7,15,18,20H,4-5,8-14,16H2,1-3H3,(H,23,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434396 (CHEMBL2387319) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(C)CC2)cc1C Show InChI InChI=1S/C22H35N5O/c1-17-15-19(23-22(28)25-13-11-24(3)12-14-25)6-7-21(17)26-10-8-20(16-26)27-9-4-5-18(27)2/h6-7,15,18,20H,4-5,8-14,16H2,1-3H3,(H,23,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434381 (CHEMBL2387310) Show SMILES CCN(CC)CCOc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1 Show InChI InChI=1S/C23H33N3O2S/c1-5-26(6-2)15-16-27-21-11-7-19(8-12-21)24-23(29)25-20-9-13-22(14-10-20)28-17-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,24,25,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50435303 (CHEMBL2391167) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor				Bioorg Med Chem Lett 23: 3421-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.081 BindingDB Entry DOI: 10.7270/Q2HH6MGF
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434383 (CHEMBL2387307) Show SMILES Cc1c(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)cc1Cl Show InChI InChI=1S/C22H27Cl2N3O2/c1-16-20(23)14-18(15-21(16)24)26-22(28)25-17-6-8-19(9-7-17)29-13-5-12-27-10-3-2-4-11-27/h6-9,14-15H,2-5,10-13H2,1H3,(H2,25,26,28)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434404 (CHEMBL2387311) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 Show InChI InChI=1S/C22H26Cl2N4O/c1-15-3-2-9-28(15)21-8-10-27(14-21)20-6-4-18(5-7-20)25-22(29)26-19-12-16(23)11-17(24)13-19/h4-7,11-13,15,21H,2-3,8-10,14H2,1H3,(H2,25,26,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434403 (CHEMBL2387312) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)c(C)c1 Show InChI InChI=1S/C23H28Cl2N4O/c1-15-10-20(28-9-7-21(14-28)29-8-3-4-16(29)2)5-6-22(15)27-23(30)26-19-12-17(24)11-18(25)13-19/h5-6,10-13,16,21H,3-4,7-9,14H2,1-2H3,(H2,26,27,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434394 (CHEMBL2387283) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(CC2)C(C)=O)cc1C Show InChI InChI=1S/C23H35N5O2/c1-17-15-20(24-23(30)26-13-11-25(12-14-26)19(3)29)6-7-22(17)27-10-8-21(16-27)28-9-4-5-18(28)2/h6-7,15,18,21H,4-5,8-14,16H2,1-3H3,(H,24,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434398 (CHEMBL2387317) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(C)CC2)cc1 Show InChI InChI=1S/C21H33N5O/c1-17-4-3-10-26(17)20-9-11-25(16-20)19-7-5-18(6-8-19)22-21(27)24-14-12-23(2)13-15-24/h5-8,17,20H,3-4,9-16H2,1-2H3,(H,22,27)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434386 (CHEMBL2387291) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)NCc2cc(Cl)cc(Cl)c2)cc1C Show InChI InChI=1S/C24H30Cl2N4O/c1-16-10-21(28-24(31)27-14-18-11-19(25)13-20(26)12-18)5-6-23(16)29-9-7-22(15-29)30-8-3-4-17(30)2/h5-6,10-13,17,22H,3-4,7-9,14-15H2,1-2H3,(H2,27,28,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50434382 (CHEMBL2387309) Show SMILES Fc1ccc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)c(F)c1 Show InChI InChI=1S/C21H25F2N3O2/c22-16-5-10-20(19(23)15-16)25-21(27)24-17-6-8-18(9-7-17)28-14-4-13-26-11-2-1-3-12-26/h5-10,15H,1-4,11-14H2,(H2,24,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rat histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analy...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434395 (CHEMBL2387282) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCN(CC2)C(C)=O)cc1 Show InChI InChI=1S/C22H33N5O2/c1-17-4-3-10-27(17)21-9-11-26(16-21)20-7-5-19(6-8-20)23-22(29)25-14-12-24(13-15-25)18(2)28/h5-8,17,21H,3-4,9-16H2,1-2H3,(H,23,29)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	34	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434391 (CHEMBL2387286) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCC(C2)N(C)C(C)=O)cc1 Show InChI InChI=1S/C23H35N5O2/c1-17-5-4-12-28(17)22-11-13-26(16-22)20-8-6-19(7-9-20)24-23(30)27-14-10-21(15-27)25(3)18(2)29/h6-9,17,21-22H,4-5,10-16H2,1-3H3,(H,24,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50434381 (CHEMBL2387310) Show SMILES CCN(CC)CCOc1ccc(NC(=S)Nc2ccc(OCC(C)C)cc2)cc1 Show InChI InChI=1S/C23H33N3O2S/c1-5-26(6-2)15-16-27-21-11-7-19(8-12-21)24-23(29)25-20-9-13-22(14-10-20)28-17-18(3)4/h7-14,18H,5-6,15-17H2,1-4H3,(H2,24,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rat histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analy...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434402 (CHEMBL2387313) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2cc(Cl)cc(Cl)c2)cc1C Show InChI InChI=1S/C23H28Cl2N4O/c1-15-10-19(26-23(30)27-20-12-17(24)11-18(25)13-20)5-6-22(15)28-9-7-21(14-28)29-8-3-4-16(29)2/h5-6,10-13,16,21H,3-4,7-9,14H2,1-2H3,(H2,26,27,30)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	43	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434385 (CHEMBL2387292) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 Show InChI InChI=1S/C28H32N4O2/c1-21-6-5-18-32(21)25-17-19-31(20-25)24-13-9-22(10-14-24)29-28(33)30-23-11-15-27(16-12-23)34-26-7-3-2-4-8-26/h2-4,7-16,21,25H,5-6,17-20H2,1H3,(H2,29,30,33)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50435304 (CHEMBL2391166) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2ccccc2F)c(C)c1 Show InChI InChI=1S/C23H28FN3O/c1-16-14-18(26-13-11-19(15-26)27-12-5-6-17(27)2)9-10-22(16)25-23(28)20-7-3-4-8-21(20)24/h3-4,7-10,14,17,19H,5-6,11-13,15H2,1-2H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from rat histamine H3 receptor				Bioorg Med Chem Lett 23: 3421-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.081 BindingDB Entry DOI: 10.7270/Q2HH6MGF
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434390 (CHEMBL2387287) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)N2CCC(C2)N(C)C(C)=O)cc1C Show InChI InChI=1S/C24H37N5O2/c1-17-14-20(25-24(31)28-13-9-21(15-28)26(4)19(3)30)7-8-23(17)27-12-10-22(16-27)29-11-5-6-18(29)2/h7-8,14,18,21-22H,5-6,9-13,15-16H2,1-4H3,(H,25,31)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine receptor H3 (Macaca mulatta (Rhesus macaque))	BDBM50434384 (CHEMBL2387293) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1C Show InChI InChI=1S/C29H34N4O2/c1-21-19-24(12-15-28(21)32-18-16-25(20-32)33-17-6-7-22(33)2)31-29(34)30-23-10-13-27(14-11-23)35-26-8-4-3-5-9-26/h3-5,8-15,19,22,25H,6-7,16-18,20H2,1-2H3,(H2,30,31,34)	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	115	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rhesus monkey histamine H3 receptor transfected in CHO cells after 1 hr by scintillation coun...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50434383 (CHEMBL2387307) Show SMILES Cc1c(Cl)cc(NC(=O)Nc2ccc(OCCCN3CCCCC3)cc2)cc1Cl Show InChI InChI=1S/C22H27Cl2N3O2/c1-16-20(23)14-18(15-21(16)24)26-22(28)25-17-6-8-19(9-7-17)29-13-5-12-27-10-3-2-4-11-27/h6-9,14-15H,2-5,10-13H2,1H3,(H2,25,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Displacement of [3H]N-alpha-methylhistamine from cloned rat histamine H3 receptor transfected in CHO cells after 1 hr by scintillation counting analy...				Bioorg Med Chem Lett 23: 3416-20 (2013) Article DOI: 10.1016/j.bmcl.2013.03.080 BindingDB Entry DOI: 10.7270/Q2RB75Z5
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50435303 (CHEMBL2391167) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2cc(F)ccc2C)c(C)c1 Show InChI InChI=1S/C24H30FN3O/c1-16-6-7-19(25)14-22(16)24(29)26-23-9-8-20(13-17(23)2)27-12-10-21(15-27)28-11-4-5-18(28)3/h6-9,13-14,18,21H,4-5,10-12,15H2,1-3H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				Bioorg Med Chem Lett 23: 3421-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.081 BindingDB Entry DOI: 10.7270/Q2HH6MGF
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50435304 (CHEMBL2391166) Show SMILES CC1CCCN1C1CCN(C1)c1ccc(NC(=O)c2ccccc2F)c(C)c1 Show InChI InChI=1S/C23H28FN3O/c1-16-14-18(26-13-11-19(15-26)27-12-5-6-17(27)2)9-10-22(16)25-23(28)20-7-3-4-8-21(20)24/h3-4,7-10,14,17,19H,5-6,11-13,15H2,1-2H3,(H,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi US Curated by ChEMBL					Assay Description Binding affinity to human histamine H1 receptor				Bioorg Med Chem Lett 23: 3421-6 (2013) Article DOI: 10.1016/j.bmcl.2013.03.081 BindingDB Entry DOI: 10.7270/Q2HH6MGF
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50430004 (CHEMBL2334648) Show SMILES FC(F)(F)c1ccccc1C(=O)N1CC2=C(C1)CN(C2)c1ccc(OCc2ccccc2)nn1 |c:15| Show InChI InChI=1S/C25H21F3N4O2/c26-25(27,28)21-9-5-4-8-20(21)24(33)32-14-18-12-31(13-19(18)15-32)22-10-11-23(30-29-22)34-16-17-6-2-1-3-7-17/h1-11H,12-16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429988 (CHEMBL2334628) Show SMILES OC(c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429974 (CHEMBL2334642) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C26H17F3N4O2S/c27-26(28,29)19-4-2-1-3-18(19)23(34)15-5-7-16(8-6-15)24-32-20-10-9-17(13-21(20)33-24)25(35)31-14-22-30-11-12-36-22/h1-13H,14H2,(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	78	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429988 (CHEMBL2334628) Show SMILES OC(c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	82	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429970 (CHEMBL2334646) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1cccs1 Show InChI InChI=1S/C27H18F3N3O2S/c28-27(29,30)21-6-2-1-5-20(21)24(34)16-7-9-17(10-8-16)25-32-22-12-11-18(14-23(22)33-25)26(35)31-15-19-4-3-13-36-19/h1-14H,15H2,(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	99	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429974 (CHEMBL2334642) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C26H17F3N4O2S/c27-26(28,29)19-4-2-1-3-18(19)23(34)15-5-7-16(8-6-15)24-32-20-10-9-17(13-21(20)33-24)25(35)31-14-22-30-11-12-36-22/h1-13H,14H2,(H,31,35)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	104	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429985 (CHEMBL2334631) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	115	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429973 (CHEMBL2334643) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C27H17ClF3N3O2S/c28-23-12-10-18(37-23)14-32-26(36)17-9-11-21-22(13-17)34-25(33-21)16-7-5-15(6-8-16)24(35)19-3-1-2-4-20(19)27(29,30)31/h1-13H,14H2,(H,32,36)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	136	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429980 (CHEMBL2334636) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-31-25(34)16-7-11-20-21(13-16)33-24(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	142	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429973 (CHEMBL2334643) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C27H17ClF3N3O2S/c28-23-12-10-18(37-23)14-32-26(36)17-9-11-21-22(13-17)34-25(33-21)16-7-5-15(6-8-16)24(35)19-3-1-2-4-20(19)27(29,30)31/h1-13H,14H2,(H,32,36)(H,33,34)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	157	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429974 (CHEMBL2334642) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C26H17F3N4O2S/c27-26(28,29)19-4-2-1-3-18(19)23(34)15-5-7-16(8-6-15)24-32-20-10-9-17(13-21(20)33-24)25(35)31-14-22-30-11-12-36-22/h1-13H,14H2,(H,31,35)(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	179	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429973 (CHEMBL2334643) Show SMILES FC(F)(F)c1ccccc1C(=O)c1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C27H17ClF3N3O2S/c28-23-12-10-18(37-23)14-32-26(36)17-9-11-21-22(13-17)34-25(33-21)16-7-5-15(6-8-16)24(35)19-3-1-2-4-20(19)27(29,30)31/h1-13H,14H2,(H,32,36)(H,33,34)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	182	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429981 (CHEMBL2334635) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C25H17F3N4O2S/c26-25(27,28)18-3-1-2-4-21(18)34-17-8-5-15(6-9-17)23-31-19-10-7-16(13-20(19)32-23)24(33)30-14-22-29-11-12-35-22/h1-13H,14H2,(H,30,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	212	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429988 (CHEMBL2334628) Show SMILES OC(c1ccc2nc([nH]c2c1)-c1ccc(OCc2ccccc2)cc1)c1ccccc1C(F)(F)F Show InChI InChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	295	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429985 (CHEMBL2334631) Show SMILES Clc1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C24H17ClN4O2S/c25-18-3-1-2-4-21(18)31-17-8-5-15(6-9-17)23-28-19-10-7-16(13-20(19)29-23)24(30)27-14-22-26-11-12-32-22/h1-13H,14H2,(H,27,30)(H,28,29)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	305	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in rat H42E cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429981 (CHEMBL2334635) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1nccs1 Show InChI InChI=1S/C25H17F3N4O2S/c26-25(27,28)18-3-1-2-4-21(18)34-17-8-5-15(6-9-17)23-31-19-10-7-16(13-20(19)32-23)24(33)30-14-22-29-11-12-35-22/h1-13H,14H2,(H,30,33)(H,31,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	313	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50429978 (CHEMBL2334638) Show SMILES CC(C)CCNC(=O)c1ccc2nc([nH]c2c1)-c1ccc(Oc2ccccc2C(F)(F)F)cc1 Show InChI InChI=1S/C26H24F3N3O2/c1-16(2)13-14-30-25(33)18-9-12-21-22(15-18)32-24(31-21)17-7-10-19(11-8-17)34-23-6-4-3-5-20(23)26(27,28)29/h3-12,15-16H,13-14H2,1-2H3,(H,30,33)(H,31,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	434	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in Wistar rat liver microsomes using [14C] stearic acid as substrate incubated for 10 mins prior to substrate addition measured af...				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50429980 (CHEMBL2334636) Show SMILES FC(F)(F)c1ccccc1Oc1ccc(cc1)-c1nc2ccc(cc2[nH]1)C(=O)NCc1ccc(Cl)s1 Show InChI InChI=1S/C26H17ClF3N3O2S/c27-23-12-10-18(36-23)14-31-25(34)16-7-11-20-21(13-16)33-24(32-20)15-5-8-17(9-6-15)35-22-4-2-1-3-19(22)26(28,29)30/h1-13H,14H2,(H,31,34)(H,32,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	439	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi-Aventis Deutschland GmbH Curated by ChEMBL					Assay Description Inhibition of SCD1 in human HepG2 cells				Bioorg Med Chem Lett 23: 1817-22 (2013) Article DOI: 10.1016/j.bmcl.2013.01.030 BindingDB Entry DOI: 10.7270/Q2251KJJ
					More data for this Ligand-Target Pair

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