Compile Data Set for Download or QSAR

Found 100 hits Enz. Inhib. hit(s) with all data for entry = 7101   

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
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174861 (US9102669, 24) Show SMILES Cc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C22H20FN5O/c1-14-2-3-16(13-24-14)19-5-7-21(26-25-19)28-10-8-15(9-11-28)22-18-12-17(23)4-6-20(18)29-27-22/h2-7,12-13,15H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60550 (BDBM50448682 | US9102669, 53) Show SMILES Fc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H22F4N4/c25-19-6-3-17-9-14-32(22(17)15-19)20-10-12-31(13-11-20)23-8-7-21(29-30-23)16-1-4-18(5-2-16)24(26,27)28/h1-8,15,20H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174891 (US9102669, 83) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1nc(Cl)c2ccccc12 Show InChI InChI=1S/C20H20ClN7/c1-26-13-14(12-22-26)17-6-7-19(24-23-17)27-10-8-15(9-11-27)28-18-5-3-2-4-16(18)20(21)25-28/h2-7,12-13,15H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174867 (US9102669, 33) Show SMILES COc1ccc(nc1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C22H20FN5O2/c1-29-16-3-4-18(24-13-16)19-5-7-21(26-25-19)28-10-8-14(9-11-28)22-17-12-15(23)2-6-20(17)30-27-22/h2-7,12-14H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448657 (CHEMBL3127530 | US9102669, 29) Show SMILES OCc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H25FN4O/c25-20-6-5-19-9-14-29(23(19)15-20)21-10-12-28(13-11-21)24-8-7-22(26-27-24)18-3-1-17(16-30)2-4-18/h1-8,15,21,30H,9-14,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174889 (US9102669, 81) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ncc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C21H20F3N7/c1-29-13-15(12-25-29)18-4-5-20(28-27-18)30-8-6-17(7-9-30)31-19-10-16(21(22,23)24)3-2-14(19)11-26-31/h2-5,10-13,17H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174903 (US9102669, 96) Show SMILES COCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C21H21FN6O2/c1-29-13-14-11-23-28(12-14)20-5-4-19(24-25-20)27-8-6-15(7-9-27)21-17-10-16(22)2-3-18(17)30-26-21/h2-5,10-12,15H,6-9,13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174869 (US9102669, 35) Show SMILES OCc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C22H20FN5O2/c23-16-2-5-20-18(11-16)22(27-30-20)14-7-9-28(10-8-14)21-6-4-19(25-26-21)15-1-3-17(13-29)24-12-15/h1-6,11-12,14,29H,7-10,13H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174865 (US9102669, 28) Show SMILES Cc1cnc(s1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C20H18FN5OS/c1-12-11-22-20(28-12)16-3-5-18(24-23-16)26-8-6-13(7-9-26)19-15-10-14(21)2-4-17(15)27-25-19/h2-5,10-11,13H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448673 (CHEMBL3127541 | US9102669, 39) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ncc2ccc(F)cc12 Show InChI InChI=1S/C20H20FN7/c1-26-13-15(12-22-26)18-4-5-20(25-24-18)27-8-6-17(7-9-27)28-19-10-16(21)3-2-14(19)11-23-28/h2-5,10-13,17H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448670 (CHEMBL3127643 | US9102669, 15) Show SMILES Cc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6/c1-15-13-23-28(14-15)21-5-4-20(24-25-21)26-9-7-18(8-10-26)27-11-6-16-2-3-17(22)12-19(16)27/h2-5,12-14,18H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174861 (US9102669, 24) Show SMILES Cc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C22H20FN5O/c1-14-2-3-16(13-24-14)19-5-7-21(26-25-19)28-10-8-15(9-11-28)22-18-12-17(23)4-6-20(18)29-27-22/h2-7,12-13,15H,8-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448662 (CHEMBL3127651 | US9102669, 22) Show SMILES CNC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H26FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-5,12-14,19H,6-11,15H2,1H3,(H,25,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174870 (US9102669, 38) Show SMILES COc1ncc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H23FN6O/c1-30-22-24-13-16(14-25-22)19-4-5-21(27-26-19)28-9-7-18(8-10-28)29-11-6-15-2-3-17(23)12-20(15)29/h2-5,12-14,18H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60544 (BDBM50448674 | US9102669, 46 | US9102669, 63) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C21H21FN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-6,11-14,18H,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448650 (CHEMBL3127538 | US9102669, 37) Show SMILES CN(C)c1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H27FN6/c1-29(2)23-7-4-18(16-26-23)21-6-8-24(28-27-21)30-12-10-20(11-13-30)31-14-9-17-3-5-19(25)15-22(17)31/h3-8,15-16,20H,9-14H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448684 (CHEMBL3127540 | US9102669, 4) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C20H19FN6O/c1-26-12-14(11-22-26)17-3-5-19(24-23-17)27-8-6-13(7-9-27)20-16-10-15(21)2-4-18(16)28-25-20/h2-5,10-13H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60565 (US9102669, 78) Show SMILES OCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C22H23FN6O/c23-18-2-1-16-5-10-29(21(16)13-18)19-6-8-27(9-7-19)22-4-3-20(25-26-22)17-14-24-28(15-17)11-12-30/h1-5,10,13-15,19,30H,6-9,11-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174901 (US9102669, 94) Show SMILES Cc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C20H19FN6O/c1-13-11-22-27(12-13)19-5-4-18(23-24-19)26-8-6-14(7-9-26)20-16-10-15(21)2-3-17(16)28-25-20/h2-5,10-12,14H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60543 (US9102669, 44) Show SMILES CN(C)c1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C24H25FN6/c1-29(2)23-7-4-18(16-26-23)21-6-8-24(28-27-21)30-12-10-20(11-13-30)31-14-9-17-3-5-19(25)15-22(17)31/h3-9,14-16,20H,10-13H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174859 (US9102669, 20) Show SMILES OCc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C19H17FN6O3/c20-12-1-3-15-13(9-12)18(25-29-15)11-5-7-26(8-6-11)16-4-2-14(21-22-16)19-24-23-17(10-27)28-19/h1-4,9,11,27H,5-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174854 (US9102669, 7) Show SMILES Cc1nsc(n1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccccc12 Show InChI InChI=1S/C20H22N6S/c1-14-21-20(27-24-14)17-6-7-19(23-22-17)25-11-9-16(10-12-25)26-13-8-15-4-2-3-5-18(15)26/h2-7,16H,8-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60560 (US9102669, 64) Show SMILES CNC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C23H24FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-6,11-14,19H,7-10,15H2,1H3,(H,25,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174873 (US9102669, 45) Show SMILES CC(=O)Nc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H25FN6O/c1-16(32)27-23-6-3-18(15-26-23)21-5-7-24(29-28-21)30-11-9-20(10-12-30)31-13-8-17-2-4-19(25)14-22(17)31/h2-7,14-15,20H,8-13H2,1H3,(H,26,27,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174878 (US9102669, 61) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ncc2c(Cl)cccc12 Show InChI InChI=1S/C20H20ClN7/c1-26-13-14(11-22-26)18-5-6-20(25-24-18)27-9-7-15(8-10-27)28-19-4-2-3-17(21)16(19)12-23-28/h2-6,11-13,15H,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174885 (US9102669, 74) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ncc2ccc(Cl)cc12 Show InChI InChI=1S/C20H20ClN7/c1-26-13-15(12-22-26)18-4-5-20(25-24-18)27-8-6-17(7-9-27)28-19-10-16(21)3-2-14(19)11-23-28/h2-5,10-13,17H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448675 (CHEMBL3127666 | US9102669, 11) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60564 (US9102669, 76) Show SMILES Fc1ccc2ccn(C3CCN(CC3)c3ccc(nn3)-c3ccc(nc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C23H19F4N5/c24-17-3-1-15-7-12-32(20(15)13-17)18-8-10-31(11-9-18)22-6-4-19(29-30-22)16-2-5-21(28-14-16)23(25,26)27/h1-7,12-14,18H,8-11H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174859 (US9102669, 20) Show SMILES OCc1nnc(o1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C19H17FN6O3/c20-12-1-3-15-13(9-12)18(25-29-15)11-5-7-26(8-6-11)16-4-2-14(21-22-16)19-24-23-17(10-27)28-19/h1-4,9,11,27H,5-8,10H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448664 (CHEMBL3127649 | US9102669, 21) Show SMILES OCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C22H25FN6O/c23-18-2-1-16-5-10-29(21(16)13-18)19-6-8-27(9-7-19)22-4-3-20(25-26-22)17-14-24-28(15-17)11-12-30/h1-4,13-15,19,30H,5-12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60550 (BDBM50448682 | US9102669, 53) Show SMILES Fc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H22F4N4/c25-19-6-3-17-9-14-32(22(17)15-19)20-10-12-31(13-11-20)23-8-7-21(29-30-23)16-1-4-18(5-2-16)24(26,27)28/h1-8,15,20H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448675 (CHEMBL3127666 | US9102669, 11) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60547 (US9102669, 49) Show SMILES OCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C21H21FN6O/c22-17-2-1-15-5-10-28(20(15)11-17)18-6-8-26(9-7-18)21-4-3-19(24-25-21)16-12-23-27(13-16)14-29/h1-5,10-13,18,29H,6-9,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448684 (CHEMBL3127540 | US9102669, 4) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C20H19FN6O/c1-26-12-14(11-22-26)17-3-5-19(24-23-17)27-8-6-13(7-9-27)20-16-10-15(21)2-4-18(16)28-25-20/h2-5,10-13H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60540 (US9102669, 43) Show SMILES OCCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C22H23FN6O/c23-18-2-1-17-5-11-28(20(17)13-18)19-6-9-27(10-7-19)21-3-4-22(26-25-21)29-15-16(8-12-30)14-24-29/h1-5,11,13-15,19,30H,6-10,12H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174887 (US9102669, 77) Show SMILES Fc1ccc2CCN(C3CCN(CC3)c3ccc(nn3)-c3cn[nH]c3)c2c1 Show InChI InChI=1S/C20H21FN6/c21-16-2-1-14-5-10-27(19(14)11-16)17-6-8-26(9-7-17)20-4-3-18(24-25-20)15-12-22-23-13-15/h1-4,11-13,17H,5-10H2,(H,22,23)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174886 (US9102669, 75) Show SMILES CCOCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C23H25FN6O2/c1-2-31-12-11-30-15-17(14-25-30)20-4-6-22(27-26-20)29-9-7-16(8-10-29)23-19-13-18(24)3-5-21(19)32-28-23/h3-6,13-16H,2,7-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448675 (CHEMBL3127666 | US9102669, 11) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C22H23F3N6/c1-29-14-16(13-26-29)19-4-5-21(28-27-19)30-9-7-18(8-10-30)31-11-6-15-2-3-17(12-20(15)31)22(23,24)25/h2-5,12-14,18H,6-11H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448669 (CHEMBL3127644 | US9102669, 16) Show SMILES OCc1cnn(c1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C21H23FN6O/c22-17-2-1-16-5-10-27(19(16)11-17)18-6-8-26(9-7-18)20-3-4-21(25-24-20)28-13-15(14-29)12-23-28/h1-4,11-13,18,29H,5-10,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174860 (US9102669, 23) Show SMILES Cc1csc(n1)-c1ccc(nn1)N1CCC(CC1)c1noc2ccc(F)cc12 Show InChI InChI=1S/C20H18FN5OS/c1-12-11-28-20(22-12)16-3-5-18(24-23-16)26-8-6-13(7-9-26)19-15-10-14(21)2-4-17(15)27-25-19/h2-5,10-11,13H,6-9H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	21	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60548 (US9102669, 51) Show SMILES OCc1ccc(cc1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C24H23FN4O/c25-20-6-5-19-9-14-29(23(19)15-20)21-10-12-28(13-11-21)24-8-7-22(26-27-24)18-3-1-17(16-30)2-4-18/h1-9,14-15,21,30H,10-13,16H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50448662 (CHEMBL3127651 | US9102669, 22) Show SMILES CNC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C23H26FN7O/c1-25-23(32)15-30-14-17(13-26-30)20-4-5-22(28-27-20)29-9-7-19(8-10-29)31-11-6-16-2-3-18(24)12-21(16)31/h2-5,12-14,19H,6-11,15H2,1H3,(H,25,32)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60566 (2-(2-nitrophenoxy)-N''-[(4-oxidanylidenecyclohexa-...) Show SMILES CCCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C15H13N3O5/c19-12-7-5-11(6-8-12)9-16-17-15(20)10-23-14-4-2-1-3-13(14)18(21)22/h1-9,19H,10H2,(H,17,20)/b16-9+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60544 (BDBM50448674 | US9102669, 46 | US9102669, 63) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C21H21FN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-6,11-14,18H,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60547 (US9102669, 49) Show SMILES OCn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C21H21FN6O/c22-17-2-1-15-5-10-28(20(15)11-17)18-6-8-26(9-7-18)21-4-3-19(24-25-21)16-12-23-27(13-16)14-29/h1-5,10-13,18,29H,6-9,14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	25	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174875 (US9102669, 50) Show SMILES CCOC(=O)Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)N1CCc2ccc(F)cc12 Show InChI InChI=1S/C24H27FN6O2/c1-2-33-24(32)16-30-15-18(14-26-30)21-5-6-23(28-27-21)29-10-8-20(9-11-29)31-12-7-17-3-4-19(25)13-22(17)31/h3-6,13-15,20H,2,7-12,16H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60551 (BDBM50448656 | US9102669, 54) Show SMILES Fc1ccc2CCN(C3CCN(CC3)c3ccc(nn3)-c3ccc(cc3)C(F)(F)F)c2c1 Show InChI InChI=1S/C24H22F4N4/c25-19-6-3-17-9-14-32(22(17)15-19)20-10-12-31(13-11-20)23-8-7-21(29-30-23)16-1-4-18(5-2-16)24(26,27)28/h1-8,15,20H,9-14H2	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM174853 (US9102669, 6) Show SMILES Cc1nsc(n1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccccc12 Show InChI InChI=1S/C20H20N6S/c1-14-21-20(27-24-14)17-6-7-19(23-22-17)25-11-9-16(10-12-25)26-13-8-15-4-2-3-5-18(15)26/h2-8,13,16H,9-12H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60539 (US9102669, 42) Show SMILES CNc1ccc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(F)cc12 Show InChI InChI=1S/C23H23FN6/c1-25-22-6-3-17(15-26-22)20-5-7-23(28-27-20)29-11-9-19(10-12-29)30-13-8-16-2-4-18(24)14-21(16)30/h2-8,13-15,19H,9-12H2,1H3,(H,25,26)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM60555 (US9102669, 59) Show SMILES Cn1cc(cn1)-c1ccc(nn1)N1CCC(CC1)n1ccc2ccc(Cl)cc12 Show InChI InChI=1S/C21H21ClN6/c1-26-14-16(13-23-26)19-4-5-21(25-24-19)27-9-7-18(8-10-27)28-11-6-15-2-3-17(22)12-20(15)28/h2-6,11-14,18H,7-10H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	25
Janssen Pharmaceutica NV US Patent					Assay Description The SCD1 enzymatic assay was done in a volume of 50 μL using 10 μg of RLM (prepared as described above) in a 96-well polypropylene plate (e...				US Patent US9102669 (2015) BindingDB Entry DOI: 10.7270/Q2BC3X9V
					More data for this Ligand-Target Pair

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