Compile Data Set for Download or QSAR

Found 413 hits with Last Name = 'ubukata' and Initial = 'm'   

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
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50167609 ((2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...) Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C21H24Cl2N2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(22)9-18(13)23/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50341824 ((1S,2R,3R)-2-Methyl-1-[5-(4-methylpyrazol-1-yl)thi...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(C)cn1)C(O)=O |r| Show InChI InChI=1S/C19H19N3O4S2/c1-12-10-20-22(11-12)15-8-9-16(27-15)28(25,26)21-19(18(23)24)13(2)17(19)14-6-4-3-5-7-14/h3-11,13,17,21H,1-2H3,(H,23,24)/t13-,17-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50341816 ((1S,2R,3R)-1-[5-(4-Methoxypyrazol-1-yl)thiophene-2...) Show SMILES COc1cnn(c1)-c1ccc(s1)S(=O)(=O)N[C@]1([C@H](C)[C@@H]1c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C19H19N3O5S2/c1-12-17(13-6-4-3-5-7-13)19(12,18(23)24)21-29(25,26)16-9-8-15(28-16)22-11-14(27-2)10-20-22/h3-12,17,21H,1-2H3,(H,23,24)/t12-,17-,19+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50167609 ((2R,5R)-1-[4-(2,4-Dichloro-benzyloxy)-benzenesulfo...) Show SMILES CC1(C)C[C@@H](O)CN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C21H24Cl2N2O6S/c1-21(2)10-15(26)11-25(19(21)20(27)24-28)32(29,30)17-7-5-16(6-8-17)31-12-13-3-4-14(22)9-18(13)23/h3-9,15,19,26,28H,10-12H2,1-2H3,(H,24,27)/t15-,19+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467599 (CHEMBL4282070) Show SMILES OCc1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1 Show InChI InChI=1S/C19H16F3N3O2S/c20-19(21,22)15-3-1-2-4-16(15)23-9-12-5-7-13(8-6-12)17(27)25-18-24-10-14(11-26)28-18/h1-8,10,23,26H,9,11H2,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50341819 ((1S,2R,3R)-1-(6-Chloro-4H-thieno[3,2-b]indole-2-su...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(Cl)ccc3c2s1)C(O)=O |r| Show InChI InChI=1S/C21H17ClN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50104963 ((2S,3R)-2-(cyclopropylmethylamino)-N1-hydroxy-N4-(...) Show SMILES ONC(=O)[C@@H](NCC1CC1)[C@@H](Cc1cccc(O)c1)C(=O)N[C@@H]1[C@H](O)Cc2ccccc12 |r| Show InChI InChI=1S/C24H29N3O5/c28-17-6-3-4-15(10-17)11-19(22(24(31)27-32)25-13-14-8-9-14)23(30)26-21-18-7-2-1-5-16(18)12-20(21)29/h1-7,10,14,19-22,25,28-29,32H,8-9,11-13H2,(H,26,30)(H,27,31)/t19-,20-,21+,22+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467595 (CHEMBL4277121) Show SMILES CCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CCO)cs1 Show InChI InChI=1S/C23H27N3O2S/c1-2-3-6-18-7-4-5-8-21(18)24-15-17-9-11-19(12-10-17)22(28)26-23-25-20(13-14-27)16-29-23/h4-5,7-12,16,24,27H,2-3,6,13-15H2,1H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467583 (CHEMBL4295170) Show SMILES CCCCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C25H29N3O3S/c1-2-3-4-5-8-19-9-6-7-10-22(19)26-16-18-11-13-20(14-12-18)24(31)28-25-27-21(17-32-25)15-23(29)30/h6-7,9-14,17,26H,2-5,8,15-16H2,1H3,(H,29,30)(H,27,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467619 (CHEMBL4278602) Show SMILES CCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CO)cs1 Show InChI InChI=1S/C22H25N3O2S/c1-2-3-6-17-7-4-5-8-20(17)23-13-16-9-11-18(12-10-16)21(27)25-22-24-19(14-26)15-28-22/h4-5,7-12,15,23,26H,2-3,6,13-14H2,1H3,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50311088 (CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r| Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
Collagenase 3 (Homo sapiens (Human))	BDBM50311088 (CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r| Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP13 after 60 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467579 (CHEMBL4289946) Show SMILES OCCc1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1 Show InChI InChI=1S/C20H18F3N3O2S/c21-20(22,23)16-3-1-2-4-17(16)24-11-13-5-7-14(8-6-13)18(28)26-19-25-12-15(29-19)9-10-27/h1-8,12,24,27H,9-11H2,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467602 (CHEMBL4277371) Show SMILES OCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C19H16F3N3O2S/c20-19(21,22)15-3-1-2-4-16(15)23-9-12-5-7-13(8-6-12)17(27)25-18-24-14(10-26)11-28-18/h1-8,11,23,26H,9-10H2,(H,24,25,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50467593 (CHEMBL4284259) Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1 Show InChI InChI=1S/C19H19N3OS/c1-13-5-3-4-6-17(13)20-11-15-7-9-16(10-8-15)18(23)22-19-21-14(2)12-24-19/h3-10,12,20H,11H2,1-2H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of mouse liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incu...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467578 (CHEMBL4293631) Show SMILES OCCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)s2)n1 Show InChI InChI=1S/C18H16F3N3O2S2/c19-18(20,21)13-3-1-2-4-14(13)22-9-12-5-6-15(28-12)16(26)24-17-23-11(7-8-25)10-27-17/h1-6,10,22,25H,7-9H2,(H,23,24,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 4 (Homo sapiens (Human))	BDBM50311088 (CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r| Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 1 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467624 (CHEMBL4282359) Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C19H16F3N3OS/c1-12-11-27-18(24-12)25-17(26)14-8-6-13(7-9-14)10-23-16-5-3-2-4-15(16)19(20,21)22/h2-9,11,23H,10H2,1H3,(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587492 (CHEMBL5079107) Show SMILES CC(C)C(NC(=O)CCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467621 (CHEMBL4288013) Show SMILES OCCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C20H18F3N3O2S/c21-20(22,23)16-3-1-2-4-17(16)24-11-13-5-7-14(8-6-13)18(28)26-19-25-15(9-10-27)12-29-19/h1-8,12,24,27H,9-11H2,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467597 (CHEMBL4283141) Show SMILES OCc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1 Show InChI InChI=1S/C18H16ClN3O2S/c19-15-3-1-2-4-16(15)20-9-12-5-7-13(8-6-12)17(24)22-18-21-14(10-23)11-25-18/h1-8,11,20,23H,9-10H2,(H,21,22,24)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.30	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467618 (CHEMBL4287233) Show SMILES CCCCCCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C27H33N3O3S/c1-2-3-4-5-6-7-10-21-11-8-9-12-24(21)28-18-20-13-15-22(16-14-20)26(33)30-27-29-23(19-34-27)17-25(31)32/h8-9,11-16,19,28H,2-7,10,17-18H2,1H3,(H,31,32)(H,29,30,33)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587502 (CHEMBL5079949) Show SMILES Cc1nc(N2C[C@](Cc3ccccc3)(C[C@H]2CO)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467586 (CHEMBL4285765) Show SMILES CCCCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CCO)cs1 Show InChI InChI=1S/C23H29N3O2S2/c1-2-3-4-5-8-17-9-6-7-10-20(17)24-15-19-11-12-21(30-19)22(28)26-23-25-18(13-14-27)16-29-23/h6-7,9-12,16,24,27H,2-5,8,13-15H2,1H3,(H,25,26,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467625 (CHEMBL4286817) Show SMILES CC(C)CCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C24H27N3O3S/c1-16(2)7-10-18-5-3-4-6-21(18)25-14-17-8-11-19(12-9-17)23(30)27-24-26-20(15-31-24)13-22(28)29/h3-6,8-9,11-12,15-16,25H,7,10,13-14H2,1-2H3,(H,28,29)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467615 (CHEMBL4284015) Show SMILES CCCCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C23H27N3O3S2/c1-2-3-4-5-8-16-9-6-7-10-19(16)24-14-18-11-12-20(31-18)22(29)26-23-25-17(15-30-23)13-21(27)28/h6-7,9-12,15,24H,2-5,8,13-14H2,1H3,(H,27,28)(H,25,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467580 (CHEMBL4281222) Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C20H16F3N3O3S/c21-20(22,23)15-3-1-2-4-16(15)24-10-12-5-7-13(8-6-12)18(29)26-19-25-14(11-30-19)9-17(27)28/h1-8,11,24H,9-10H2,(H,27,28)(H,25,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467626 (CHEMBL4294042) Show SMILES OCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)s2)n1 Show InChI InChI=1S/C17H14F3N3O2S2/c18-17(19,20)12-3-1-2-4-13(12)21-7-11-5-6-14(27-11)15(25)23-16-22-10(8-24)9-26-16/h1-6,9,21,24H,7-8H2,(H,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587504 (CHEMBL5087040) Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(O)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467584 (CHEMBL4280771) Show SMILES OCCCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C21H20F3N3O2S/c22-21(23,24)17-5-1-2-6-18(17)25-12-14-7-9-15(10-8-14)19(29)27-20-26-16(13-30-20)4-3-11-28/h1-2,5-10,13,25,28H,3-4,11-12H2,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.20	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467594 (CHEMBL4285064) Show SMILES CC(C)CCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CCO)cs1 Show InChI InChI=1S/C24H29N3O2S/c1-17(2)7-10-19-5-3-4-6-22(19)25-15-18-8-11-20(12-9-18)23(29)27-24-26-21(13-14-28)16-30-24/h3-6,8-9,11-12,16-17,25,28H,7,10,13-15H2,1-2H3,(H,26,27,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Mus musculus)	BDBM50467582 (CHEMBL4276719) Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of mouse liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incu...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587505 (CHEMBL5072731) Show SMILES Cc1nc(N2C[C@H](C[C@H]2CO)c2ccc([nH]2)C(N)=O)c2c(n1)[nH]c1c(cccc21)C1CC1 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467587 (CHEMBL4290642) Show SMILES CCCCc1ccccc1NCc1ccc(cc1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C23H25N3O3S/c1-2-3-6-17-7-4-5-8-20(17)24-14-16-9-11-18(12-10-16)22(29)26-23-25-19(15-30-23)13-21(27)28/h4-5,7-12,15,24H,2-3,6,13-14H2,1H3,(H,27,28)(H,25,26,29)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467614 (CHEMBL4283470) Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cc3ccccc3)cc2)n1 Show InChI InChI=1S/C26H23N3O3S/c30-24(31)15-22-17-33-26(28-22)29-25(32)20-12-10-19(11-13-20)16-27-23-9-5-4-8-21(23)14-18-6-2-1-3-7-18/h1-13,17,27H,14-16H2,(H,30,31)(H,28,29,32)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
[Pyruvate dehydrogenase (acetyl-transferring)] kinase isozyme 2, mitochondrial (Homo sapiens (Human))	BDBM50587493 (CHEMBL5087238) Show SMILES CC(C)C(CC(=O)NCc1ccccc1)c1nnc(o1)-c1cc2c(nc1C)[nH]c1c(cccc21)C1CC1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human recombinant PDHK2 co-complexed with porcine PDH using sodium pyruvate, coenzymeA and NAD as substrates preincubated with enzyme c...				Citation and Details Article DOI: 10.1016/j.bmc.2021.116514 BindingDB Entry DOI: 10.7270/Q20K2DGG
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467604 (CHEMBL4292509) Show SMILES OC(=O)CCc1csc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)n1 Show InChI InChI=1S/C21H18F3N3O3S/c22-21(23,24)16-3-1-2-4-17(16)25-11-13-5-7-14(8-6-13)19(30)27-20-26-15(12-31-20)9-10-18(28)29/h1-8,12,25H,9-11H2,(H,28,29)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467596 (CHEMBL4286512) Show SMILES OCCc1csc(NC(=O)c2ccc(CNc3ccccc3Cl)cc2)n1 Show InChI InChI=1S/C19H18ClN3O2S/c20-16-3-1-2-4-17(16)21-11-13-5-7-14(8-6-13)18(25)23-19-22-15(9-10-24)12-26-19/h1-8,12,21,24H,9-11H2,(H,22,23,25)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467593 (CHEMBL4284259) Show SMILES Cc1csc(NC(=O)c2ccc(CNc3ccccc3C)cc2)n1 Show InChI InChI=1S/C19H19N3OS/c1-13-5-3-4-6-17(13)20-11-15-7-9-16(10-8-15)18(23)22-19-21-14(2)12-24-19/h3-10,12,20H,11H2,1-2H3,(H,21,22,23)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Acyl-CoA desaturase 1 (Rattus norvegicus (Rat))	BDBM50467582 (CHEMBL4276719) Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver microsome SCD assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]CoA as substrate in presence of NADH incuba...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467627 (CHEMBL4280567) Show SMILES CC(C)CCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C22H25N3O3S2/c1-14(2)7-8-15-5-3-4-6-18(15)23-12-17-9-10-19(30-17)21(28)25-22-24-16(13-29-22)11-20(26)27/h3-6,9-10,13-14,23H,7-8,11-12H2,1-2H3,(H,26,27)(H,24,25,28)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50311088 (CHEMBL1078281 | cis-rac-1-(5-(4-chloro-1H-pyrazol-...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1ccc(s1)-n1cc(Cl)cn1)C(O)=O |r| Show InChI InChI=1S/C18H16ClN3O4S2/c1-11-16(12-5-3-2-4-6-12)18(11,17(23)24)21-28(25,26)15-8-7-14(27-15)22-10-13(19)9-20-22/h2-11,16,21H,1H3,(H,23,24)/t11-,16-,18+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.40	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467617 (CHEMBL4288454) Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3Cc3ccccc3)s2)n1 Show InChI InChI=1S/C24H21N3O3S2/c28-22(29)13-18-15-31-24(26-18)27-23(30)21-11-10-19(32-21)14-25-20-9-5-4-8-17(20)12-16-6-2-1-3-7-16/h1-11,15,25H,12-14H2,(H,28,29)(H,26,27,30)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Matrix metalloproteinase-14 (Homo sapiens (Human))	BDBM50341820 ((1S,2R,3R)-1-(6-Fluoro-4H-thieno[3,2-b]indole-2-su...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(F)ccc3c2s1)C(O)=O |r| Show InChI InChI=1S/C21H17FN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1	PDB UniProtKB/SwissProt antibodypedia 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
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant MMP14 after 60 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467589 (CHEMBL4291417) Show SMILES OC(=O)c1cnc(NC(=O)c2ccc(CNc3ccccc3C(F)(F)F)cc2)s1 Show InChI InChI=1S/C19H14F3N3O3S/c20-19(21,22)13-3-1-2-4-14(13)23-9-11-5-7-12(8-6-11)16(26)25-18-24-10-15(29-18)17(27)28/h1-8,10,23H,9H2,(H,27,28)(H,24,25,26)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50341820 ((1S,2R,3R)-1-(6-Fluoro-4H-thieno[3,2-b]indole-2-su...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)c1cc2[nH]c3cc(F)ccc3c2s1)C(O)=O |r| Show InChI InChI=1S/C21H17FN2O4S2/c1-11-18(12-5-3-2-4-6-12)21(11,20(25)26)24-30(27,28)17-10-16-19(29-17)14-8-7-13(22)9-15(14)23-16/h2-11,18,23-24H,1H3,(H,25,26)/t11-,18-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.30	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50341812 ((1S,2R,3R)-2.3-Dimethyl-1-(8-fluoro-1,2,3,4-tetrah...) Show SMILES C[C@@H]1[C@](C)(c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nc1cc(F)ccn21)C(O)=O |r| Show InChI InChI=1S/C22H23FN4O4S/c1-14-21(2,15-6-4-3-5-7-15)22(14,20(28)29)25-32(30,31)26-10-9-18-17(13-26)24-19-12-16(23)8-11-27(18)19/h3-8,11-12,14,25H,9-10,13H2,1-2H3,(H,28,29)/t14-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.40	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
A disintegrin and metalloproteinase with thrombospondin motifs 5 (Homo sapiens (Human))	BDBM50341809 ((1S,2R,3R)-1-(7-Fluoro-1,2,3,4-tetrahydropyrido[3'...) Show SMILES C[C@@H]1[C@H](c2ccccc2)[C@]1(NS(=O)(=O)N1CCc2c(C1)nn1cc(F)ccc21)C(O)=O |r| Show InChI InChI=1S/C21H21FN4O4S/c1-13-19(14-5-3-2-4-6-14)21(13,20(27)28)24-31(29,30)25-10-9-16-17(12-25)23-26-11-15(22)7-8-18(16)26/h2-8,11,13,19,24H,9-10,12H2,1H3,(H,27,28)/t13-,19-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human recombinant aggrecanase 2 after 150 mins by fluorescence plate reader				J Med Chem 54: 2839-63 (2011) Article DOI: 10.1021/jm101609j BindingDB Entry DOI: 10.7270/Q2N87B3D
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467613 (CHEMBL4278895) Show SMILES OC(=O)Cc1csc(NC(=O)c2ccc(CNc3ccccc3-c3ccccc3)cc2)n1 Show InChI InChI=1S/C25H21N3O3S/c29-23(30)14-20-16-32-25(27-20)28-24(31)19-12-10-17(11-13-19)15-26-22-9-5-4-8-21(22)18-6-2-1-3-7-18/h1-13,16,26H,14-15H2,(H,29,30)(H,27,28,31)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair
Stearoyl-CoA desaturase (Homo sapiens (Human))	BDBM50467582 (CHEMBL4276719) Show SMILES CCCCc1ccccc1NCc1ccc(s1)C(=O)Nc1nc(CC(O)=O)cs1 Show InChI InChI=1S/C21H23N3O3S2/c1-2-3-6-14-7-4-5-8-17(14)22-12-16-9-10-18(29-16)20(27)24-21-23-15(13-28-21)11-19(25)26/h4-5,7-10,13,22H,2-3,6,11-12H2,1H3,(H,25,26)(H,23,24,27)	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.80	n/a	n/a	n/a	n/a	n/a	n/a
Japan Tobacco Inc. Curated by ChEMBL					Assay Description Inhibition of recombinant human SCD1 expressed in baculovirus expression system assessed as reduction in [3H]H2O production using stearoyl [9,10-3H]C...				Eur J Med Chem 158: 832-852 (2018) Article DOI: 10.1016/j.ejmech.2018.09.003 BindingDB Entry DOI: 10.7270/Q21V5HN5
					More data for this Ligand-Target Pair

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