Compile Data Set for Download or QSAR

Found 64 hits with Last Name = 'castriota' and Initial = 'ga'   

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
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328246 (3-(4-carbamoyl-1-(5-(1,1,1,3,3,3-hexafluoro-2-hydr...) Show SMILES NC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1cccc(c1)C(O)=O Show InChI InChI=1S/C19H17F6N3O4S/c20-18(21,22)17(32,19(23,24)25)12-9-27-15(33-12)28-6-4-16(5-7-28,14(26)31)11-3-1-2-10(8-11)13(29)30/h1-3,8-9,32H,4-7H2,(H2,26,31)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328247 (4-(3-carboxyphenyl)-1-(5-(1,1,1,3,3,3-hexafluoro-2...) Show SMILES OC(=O)c1cccc(c1)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)C(O)=O Show InChI InChI=1S/C19H16F6N2O5S/c20-18(21,22)17(32,19(23,24)25)12-9-26-15(33-12)27-6-4-16(5-7-27,14(30)31)11-3-1-2-10(8-11)13(28)29/h1-3,8-9,32H,4-7H2,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328248 (1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...) Show SMILES CS(=O)(=O)NC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C19H19F6N3O4S2/c1-34(31,32)27-14(29)16(12-5-3-2-4-6-12)7-9-28(10-8-16)15-26-11-13(33-15)17(30,18(20,21)22)19(23,24)25/h2-6,11,30H,7-10H2,1H3,(H,27,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328235 (3-(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES OC(=O)c1cccc(c1)C1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H16F6N2O3S/c19-17(20,21)16(29,18(22,23)24)13-9-25-15(30-13)26-6-4-10(5-7-26)11-2-1-3-12(8-11)14(27)28/h1-3,8-10,29H,4-7H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328241 (1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...) Show SMILES OC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C18H16F6N2O3S/c19-17(20,21)16(29,18(22,23)24)12-10-25-14(30-12)26-8-6-15(7-9-26,13(27)28)11-4-2-1-3-5-11/h1-5,10,29H,6-9H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328222 (3-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES OC(=O)c1cccc(c1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H15F6N3O3S/c18-16(19,20)15(29,17(21,22)23)12-9-24-14(30-12)26-6-4-25(5-7-26)11-3-1-2-10(8-11)13(27)28/h1-3,8-9,29H,4-7H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328244 (4-(4-fluorophenyl)-1-(5-(1,1,1,3,3,3-hexafluoro-2-...) Show SMILES OC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1ccc(F)cc1 Show InChI InChI=1S/C18H15F7N2O3S/c19-11-3-1-10(2-4-11)15(13(28)29)5-7-27(8-6-15)14-26-9-12(31-14)16(30,17(20,21)22)18(23,24)25/h1-4,9,30H,5-8H2,(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328226 (2-(2-(4-(3-(1H-tetrazol-5-yl)phenyl)piperazin-1-yl...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1cccc(c1)-c1nnn[nH]1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H15F6N7OS/c18-16(19,20)15(31,17(21,22)23)12-9-24-14(32-12)30-6-4-29(5-7-30)11-3-1-2-10(8-11)13-25-27-28-26-13/h1-3,8-9,31H,4-7H2,(H,25,26,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328245 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(2-fluorophenyl)-4-...) Show SMILES OC(c1cnc(s1)N1CCC(CC1)(c1nnn[nH]1)c1ccccc1F)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H15F7N6OS/c19-11-4-2-1-3-10(11)15(13-27-29-30-28-13)5-7-31(8-6-15)14-26-9-12(33-14)16(32,17(20,21)22)18(23,24)25/h1-4,9,32H,5-8H2,(H,27,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328234 (2-(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES OC(=O)c1ccccc1C1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H16F6N2O3S/c19-17(20,21)16(29,18(22,23)24)13-9-25-15(30-13)26-7-5-10(6-8-26)11-3-1-2-4-12(11)14(27)28/h1-4,9-10,29H,5-8H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328237 (3-(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES NC(=O)c1cccc(c1)C1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H17F6N3O2S/c19-17(20,21)16(29,18(22,23)24)13-9-26-15(30-13)27-6-4-10(5-7-27)11-2-1-3-12(8-11)14(25)28/h1-3,8-10,29H,4-7H2,(H2,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328225 (3-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES NC(=O)c1cccc(c1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N4O2S/c18-16(19,20)15(29,17(21,22)23)12-9-25-14(30-12)27-6-4-26(5-7-27)11-3-1-2-10(8-11)13(24)28/h1-3,8-9,29H,4-7H2,(H2,24,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328227 (3-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES CNC(=O)c1cccc(c1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H18F6N4O2S/c1-25-14(29)11-3-2-4-12(9-11)27-5-7-28(8-6-27)15-26-10-13(31-15)16(30,17(19,20)21)18(22,23)24/h2-4,9-10,30H,5-8H2,1H3,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328221 (2-(2-(4-(4-aminophenyl)piperazin-1-yl)thiazol-5-yl...) Show SMILES Nc1ccc(cc1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H16F6N4OS/c17-15(18,19)14(27,16(20,21)22)12-9-24-13(28-12)26-7-5-25(6-8-26)11-3-1-10(23)2-4-11/h1-4,9,27H,5-8,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328238 (3-(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES CNC(=O)c1cccc(c1)C1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C19H19F6N3O2S/c1-26-15(29)13-4-2-3-12(9-13)11-5-7-28(8-6-11)16-27-10-14(31-16)17(30,18(20,21)22)19(23,24)25/h2-4,9-11,30H,5-8H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328220 (2-(2-(4-(3-aminophenyl)piperazin-1-yl)thiazol-5-yl...) Show SMILES Nc1cccc(c1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H16F6N4OS/c17-15(18,19)14(27,16(20,21)22)12-9-24-13(28-12)26-6-4-25(5-7-26)11-3-1-2-10(23)8-11/h1-3,8-9,27H,4-7,23H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328249 (1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...) Show SMILES OC(c1cnc(s1)N1CCC(CC1)(C(=O)NCC(F)(F)F)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H18F9N3O2S/c21-17(22,23)11-31-14(33)16(12-4-2-1-3-5-12)6-8-32(9-7-16)15-30-10-13(35-15)18(34,19(24,25)26)20(27,28)29/h1-5,10,34H,6-9,11H2,(H,31,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328236 (4-(1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES OC(=O)c1ccc(cc1)C1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H16F6N2O3S/c19-17(20,21)16(29,18(22,23)24)13-9-25-15(30-13)26-7-5-11(6-8-26)10-1-3-12(4-2-10)14(27)28/h1-4,9,11,29H,5-8H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328239 (1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...) Show SMILES OC(c1cnc(s1)N1CCC(O)(CC1)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2O2S/c18-16(19,20)15(27,17(21,22)23)12-10-24-13(28-12)25-8-6-14(26,7-9-25)11-4-2-1-3-5-11/h1-5,10,26-27H,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328243 (1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...) Show SMILES CNC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C19H19F6N3O2S/c1-26-14(29)16(12-5-3-2-4-6-12)7-9-28(10-8-16)15-27-11-13(31-15)17(30,18(20,21)22)19(23,24)25/h2-6,11,30H,7-10H2,1H3,(H,26,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328242 (1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...) Show SMILES NC(=O)C1(CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F)c1ccccc1 Show InChI InChI=1S/C18H17F6N3O2S/c19-17(20,21)16(29,18(22,23)24)12-10-26-14(30-12)27-8-6-15(7-9-27,13(25)28)11-4-2-1-3-5-11/h1-5,10,29H,6-9H2,(H2,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328223 (2-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES OC(=O)c1ccccc1N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H15F6N3O3S/c18-16(19,20)15(29,17(21,22)23)12-9-24-14(30-12)26-7-5-25(6-8-26)11-4-2-1-3-10(11)13(27)28/h1-4,9,29H,5-8H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328254 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(trifluoromethyl)ph...) Show SMILES OC(c1cnc(s1)S(=O)(=O)c1ccc(cc1)C(F)(F)F)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C13H6F9NO3S2/c14-11(15,16)6-1-3-7(4-2-6)28(25,26)9-23-5-8(27-9)10(24,12(17,18)19)13(20,21)22/h1-5,24H	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328250 (4-(2-aminothiazol-4-yl)-7-(5-(1,1,1,3,3,3-hexafluo...) Show SMILES Nc1nc(cs1)-c1cc(=O)oc2cc(Sc3ncc(s3)C(O)(C(F)(F)F)C(F)(F)F)ccc12 Show InChI InChI=1S/C18H9F6N3O3S3/c19-17(20,21)16(29,18(22,23)24)12-5-26-15(33-12)32-7-1-2-8-9(10-6-31-14(25)27-10)4-13(28)30-11(8)3-7/h1-6,29H,(H2,25,27)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328212 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(4-fluorophenyl)pip...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14F7N3OS/c17-10-1-3-11(4-2-10)25-5-7-26(8-6-25)13-24-9-12(28-13)14(27,15(18,19)20)16(21,22)23/h1-4,9,27H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328211 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(3-fluorophenyl)pip...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1cccc(F)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14F7N3OS/c17-10-2-1-3-11(8-10)25-4-6-26(7-5-25)13-24-9-12(28-13)14(27,15(18,19)20)16(21,22)23/h1-3,8-9,27H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328217 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(4-nitrophenyl)pipe...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1ccc(cc1)[N+]([O-])=O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14F6N4O3S/c17-15(18,19)14(27,16(20,21)22)12-9-23-13(30-12)25-7-5-24(6-8-25)10-1-3-11(4-2-10)26(28)29/h1-4,9,27H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328240 (1-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)...) Show SMILES OC(c1cnc(s1)N1CCC(CC1)(C#N)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H15F6N3OS/c19-17(20,21)16(28,18(22,23)24)13-10-26-14(29-13)27-8-6-15(11-25,7-9-27)12-4-2-1-3-5-12/h1-5,10,28H,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328213 (2-(2-(4-(3,4-difluorophenyl)piperazin-1-yl)thiazol...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1ccc(F)c(F)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H13F8N3OS/c17-10-2-1-9(7-11(10)18)26-3-5-27(6-4-26)13-25-8-12(29-13)14(28,15(19,20)21)16(22,23)24/h1-2,7-8,28H,3-6H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328233 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(3-fluorophenyl)pip...) Show SMILES OC(c1cnc(s1)N1CCC(CC1)c1cccc(F)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H15F7N2OS/c18-12-3-1-2-11(8-12)10-4-6-26(7-5-10)14-25-9-13(28-14)15(27,16(19,20)21)17(22,23)24/h1-3,8-10,27H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328216 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(3-nitrophenyl)pipe...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1cccc(c1)[N+]([O-])=O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14F6N4O3S/c17-15(18,19)14(27,16(20,21)22)12-9-23-13(30-12)25-6-4-24(5-7-25)10-2-1-3-11(8-10)26(28)29/h1-3,8-9,27H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328232 (1,1,1,3,3,3-hexafluoro-2-(2-(4-phenylpiperidin-1-y...) Show SMILES OC(c1cnc(s1)N1CCC(CC1)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2OS/c18-16(19,20)15(26,17(21,22)23)13-10-24-14(27-13)25-8-6-12(7-9-25)11-4-2-1-3-5-11/h1-5,10,12,26H,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50119362 (2-{4-[1-(3,4-Bis-difluoromethoxy-phenyl)-2-(1-oxy-...) Show SMILES Cc1cc(ccc1C(Cc1cc[n+]([O-])cc1)c1ccc(OC(F)F)c(OC(F)F)c1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H19F10NO4/c1-13-10-16(23(37,24(30,31)32)25(33,34)35)3-4-17(13)18(11-14-6-8-36(38)9-7-14)15-2-5-19(39-21(26)27)20(12-15)40-22(28)29/h2-10,12,18,21-22,37H,11H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13.3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328231 (3-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES NC(=O)c1cccc(c1)N1CCC(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C18H17F6N3O2S/c19-17(20,21)16(29,18(22,23)24)13-9-26-15(30-13)10-4-6-27(7-5-10)12-3-1-2-11(8-12)14(25)28/h1-3,8-10,29H,4-7H2,(H2,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328218 (3-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1cccc(c1)C#N)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H14F6N4OS/c18-16(19,20)15(28,17(21,22)23)13-10-25-14(29-13)27-6-4-26(5-7-27)12-3-1-2-11(8-12)9-24/h1-3,8,10,28H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328224 (4-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES OC(=O)c1ccc(cc1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H15F6N3O3S/c18-16(19,20)15(29,17(21,22)23)12-9-24-14(30-12)26-7-5-25(6-8-26)11-3-1-10(2-4-11)13(27)28/h1-4,9,29H,5-8H2,(H,27,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328230 (1,1,1,3,3,3-hexafluoro-2-(2-(1-(4-fluorophenyl)pip...) Show SMILES OC(c1cnc(s1)C1CCN(CC1)c1ccc(F)cc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H15F7N2OS/c18-11-1-3-12(4-2-11)26-7-5-10(6-8-26)14-25-9-13(28-14)15(27,16(19,20)21)17(22,23)24/h1-4,9-10,27H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328203 (1,1,1,3,3,3-hexafluoro-2-(2-(4-phenylpiperazin-1-y...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H15F6N3OS/c17-15(18,19)14(26,16(20,21)22)12-10-23-13(27-12)25-8-6-24(7-9-25)11-4-2-1-3-5-11/h1-5,10,26H,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328214 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(3-(methylsulfonyl)...) Show SMILES CS(=O)(=O)c1cccc(c1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H17F6N3O3S2/c1-31(28,29)12-4-2-3-11(9-12)25-5-7-26(8-6-25)14-24-10-13(30-14)15(27,16(18,19)20)17(21,22)23/h2-4,9-10,27H,5-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328229 (1,1,1,3,3,3-hexafluoro-2-(2-(1-(3-fluorophenyl)pip...) Show SMILES OC(c1cnc(s1)C1CCN(CC1)c1cccc(F)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H15F7N2OS/c18-11-2-1-3-12(8-11)26-6-4-10(5-7-26)14-25-9-13(28-14)15(27,16(19,20)21)17(22,23)24/h1-3,8-10,27H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328228 (1,1,1,3,3,3-hexafluoro-2-(2-(1-phenylpiperidin-4-y...) Show SMILES OC(c1cnc(s1)C1CCN(CC1)c1ccccc1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H16F6N2OS/c18-16(19,20)15(26,17(21,22)23)13-10-24-14(27-13)11-6-8-25(9-7-11)12-4-2-1-3-5-12/h1-5,10-11,26H,6-9H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328219 (4-(4-(5-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1ccc(cc1)C#N)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H14F6N4OS/c18-16(19,20)15(28,17(21,22)23)13-10-25-14(29-13)27-7-5-26(6-8-27)12-3-1-11(9-24)2-4-12/h1-4,10,28H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328215 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(4-(methylsulfonyl)...) Show SMILES CS(=O)(=O)c1ccc(cc1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H17F6N3O3S2/c1-31(28,29)12-4-2-11(3-5-12)25-6-8-26(9-7-25)14-24-10-13(30-14)15(27,16(18,19)20)17(21,22)23/h2-5,10,27H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328209 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(3-methoxyphenyl)pi...) Show SMILES COc1cccc(c1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H17F6N3O2S/c1-28-12-4-2-3-11(9-12)25-5-7-26(8-6-25)14-24-10-13(29-14)15(27,16(18,19)20)17(21,22)23/h2-4,9-10,27H,5-8H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328207 (1,1,1,3,3,3-hexafluoro-2-(2-(4-p-tolylpiperazin-1-...) Show SMILES Cc1ccc(cc1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H17F6N3OS/c1-11-2-4-12(5-3-11)25-6-8-26(9-7-25)14-24-10-13(28-14)15(27,16(18,19)20)17(21,22)23/h2-5,10,27H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	59	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328208 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(4-methoxyphenyl)pi...) Show SMILES COc1ccc(cc1)N1CCN(CC1)c1ncc(s1)C(O)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H17F6N3O2S/c1-28-12-4-2-11(3-5-12)25-6-8-26(9-7-25)14-24-10-13(29-14)15(27,16(18,19)20)17(21,22)23/h2-5,10,27H,6-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	76	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328210 (2-(2-(4-(3-chlorophenyl)piperazin-1-yl)thiazol-5-y...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C16H14ClF6N3OS/c17-10-2-1-3-11(8-10)25-4-6-26(7-5-25)13-24-9-12(28-13)14(27,15(18,19)20)16(21,22)23/h1-3,8-9,27H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	79	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328251 (1,1,1,3,3,3-hexafluoro-2-(2-(p-tolylthio)thiazol-5...) Show SMILES Cc1ccc(Sc2ncc(s2)C(O)(C(F)(F)F)C(F)(F)F)cc1 Show InChI InChI=1S/C13H9F6NOS2/c1-7-2-4-8(5-3-7)22-10-20-6-9(23-10)11(21,12(14,15)16)13(17,18)19/h2-6,21H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328206 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(4-(trifluoromethyl...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1ccc(cc1)C(F)(F)F)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H14F9N3OS/c18-15(19,20)10-1-3-11(4-2-10)28-5-7-29(8-6-28)13-27-9-12(31-13)14(30,16(21,22)23)17(24,25)26/h1-4,9,30H,5-8H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair
Malonyl-CoA decarboxylase, mitochondrial (Homo sapiens (Human))	BDBM50328204 (1,1,1,3,3,3-hexafluoro-2-(2-(4-(3-(trifluoromethyl...) Show SMILES OC(c1cnc(s1)N1CCN(CC1)c1cccc(c1)C(F)(F)F)(C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C17H14F9N3OS/c18-15(19,20)10-2-1-3-11(8-10)28-4-6-29(7-5-28)13-27-9-12(31-13)14(30,16(21,22)23)17(24,25)26/h1-3,8-9,30H,4-7H2	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	240	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of human MCD				Bioorg Med Chem Lett 20: 6088-92 (2010) Article DOI: 10.1016/j.bmcl.2010.08.047 BindingDB Entry DOI: 10.7270/Q2542NTX
					More data for this Ligand-Target Pair

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