Compile Data Set for Download or QSAR

Found 307 hits with Last Name = 'fischer' and Initial = 'r'   

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
Beta-galactosidase (Escherichia coli)	BDBM50150470 (CHEMBL3771185) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50150470 (CHEMBL3771185) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM50150471 (CHEMBL3770764) Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Beta-galactosidase (Escherichia coli)	BDBM50150472 (CHEMBL3770736) Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C10H22N2O3/c11-4-2-1-3-8-7(6-13)10(15)9(14)5-12-8/h7-10,12-15H,1-6,11H2/t7-,8+,9+,10-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of Escherichia coli lacZ beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed b...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50358321 (CHEMBL1922579 | CHEMBL1922581) Show SMILES CCCCCCCCN[C@@H]1C=C(CO)[C@H](O)[C@H](O)[C@H]1O |r,t:10| Show InChI InChI=1S/C15H29NO4/c1-2-3-4-5-6-7-8-16-12-9-11(10-17)13(18)15(20)14(12)19/h9,12-20H,2-8,10H2,1H3/t12-,13+,14+,15+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	870	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50150471 (CHEMBL3770764) Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50150472 (CHEMBL3770736) Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C10H22N2O3/c11-4-2-1-3-8-7(6-13)10(15)9(14)5-12-8/h7-10,12-15H,1-6,11H2/t7-,8+,9+,10-/m0/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.94E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Beta-galactosidase (Bos taurus (Bovine))	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of bovine liver beta-galactosidase using 4-nitrophenyl-beta-D-galactopyranoside as substrate preincubated up to 5 mins followed by substra...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50150471 (CHEMBL3770764) Show SMILES OCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C8H17NO4/c10-2-1-6-5(4-11)8(13)7(12)3-9-6/h5-13H,1-4H2/t5-,6+,7+,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50150472 (CHEMBL3770736) Show SMILES NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C10H22N2O3/c11-4-2-1-3-8-7(6-13)10(15)9(14)5-12-8/h7-10,12-15H,1-6,11H2/t7-,8+,9+,10-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50150470 (CHEMBL3771185) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)NCCCC[C@H]1NC[C@@H](O)[C@@H](O)[C@H]1CO |r| Show InChI InChI=1S/C22H33N3O5S/c1-25(2)19-10-5-8-16-15(19)7-6-11-21(16)31(29,30)24-12-4-3-9-18-17(14-26)22(28)20(27)13-23-18/h5-8,10-11,17-18,20,22-24,26-28H,3-4,9,12-14H2,1-2H3/t17-,18+,20+,22-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Alpha-galactosidase A (Homo sapiens (Human))	BDBM50350758 (CHEMBL1818433) Show SMILES OC[C@H]1CNC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C6H13NO3/c8-3-4-1-7-2-5(9)6(4)10/h4-10H,1-3H2/t4-,5-,6+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid PDB UniChem Similars	Article PubMed	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Graz University of Technology Curated by ChEMBL					Assay Description Inhibition of human recombinant lysosomal alpha-galactosidase using 2,4-dinitrophenyl-alpha-D-galactopyranoside as substrate preincubated up to 5 min...				Bioorg Med Chem Lett 26: 1438-42 (2016) Article DOI: 10.1016/j.bmcl.2016.01.059 BindingDB Entry DOI: 10.7270/Q2HQ41SR
					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50121975 ((6-Methoxy-quinolin-4-yl)-(5-vinyl-1-aza-bicyclo[2...) Show SMILES COc1ccc2nccc([C@H](O)[C@H]3C[C@@H]4CCN3C[C@@H]4C=C)c2c1 |r,THB:20:19:12.13:16.15,10:12:18.19:16.15| Show InChI InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19+,20-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 expressed in supersomes using 7-benzyloxyquinoline as substrate by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM8610 (1-[4-(4-{[(2R,4S)-2-(2,4-dichlorophenyl)-2-(1H-imi...) Show SMILES [H][C@]1(COc2ccc(cc2)N2CCN(CC2)C(C)=O)CO[C@@](Cn2ccnc2)(O1)c1ccc(Cl)cc1Cl |r| Show InChI InChI=1S/C26H28Cl2N4O4/c1-19(33)31-10-12-32(13-11-31)21-3-5-22(6-4-21)34-15-23-16-35-26(36-23,17-30-9-8-29-18-30)24-7-2-20(27)14-25(24)28/h2-9,14,18,23H,10-13,15-17H2,1H3/t23-,26-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
University of Texas Southwestern Curated by ChEMBL					Assay Description Inhibition of recombinant human CYP3A4 expressed in supersomes using 7-benzyloxyquinoline as substrate by fluorescence method				J Med Chem 62: 10124-10143 (2019) Article DOI: 10.1021/acs.jmedchem.9b00952 BindingDB Entry DOI: 10.7270/Q2QF8XB9
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220140 (US9278925, 1-1) Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	44	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220130 (US9278925, V.1-a | US9278925, V.3-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220130 (US9278925, V.1-a | US9278925, V.3-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	55	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220134 (US9278925, V.2-b) Show SMILES Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)c(F)c1 |r,wU:10.21,13.17,c:8,(1.16,4.67,;1.93,3.33,;3.47,3.33,;4.24,2,;3.47,.67,;1.93,.67,;1.16,2,;-.38,2,;-1.29,.75,;-.52,-.58,;-2.75,1.23,;-4.09,2,;-5.42,1.23,;-5.42,-.31,;-4.09,-1.08,;-2.75,-.31,;-6.75,.46,;-8.09,-.31,;-6.75,2,;-8.09,1.23,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,)| Show InChI InChI=1S/C23H20ClF4NO2/c1-12-2-3-13(14-4-5-17(24)18(25)11-14)10-16(12)19-20(30)22(29-21(19)31)8-6-15(7-9-22)23(26,27)28/h2-5,10-11,15,30H,6-9H2,1H3,(H,29,31)/t15-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	59	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	63	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220140 (US9278925, 1-1) Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220134 (US9278925, V.2-b) Show SMILES Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)c(F)c1 |r,wU:10.21,13.17,c:8,(1.16,4.67,;1.93,3.33,;3.47,3.33,;4.24,2,;3.47,.67,;1.93,.67,;1.16,2,;-.38,2,;-1.29,.75,;-.52,-.58,;-2.75,1.23,;-4.09,2,;-5.42,1.23,;-5.42,-.31,;-4.09,-1.08,;-2.75,-.31,;-6.75,.46,;-8.09,-.31,;-6.75,2,;-8.09,1.23,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,)| Show InChI InChI=1S/C23H20ClF4NO2/c1-12-2-3-13(14-4-5-17(24)18(25)11-14)10-16(12)19-20(30)22(29-21(19)31)8-6-15(7-9-22)23(26,27)28/h2-5,10-11,15,30H,6-9H2,1H3,(H,29,31)/t15-,22+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220140 (US9278925, 1-1) Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	69	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220139 (US9278925, V.4-b) Show SMILES COC[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,3.2,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-4.75,1.23,;-3.42,2,;-2.09,1.23,;-2.09,-.31,;-3.42,-1.08,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-3-4-16(17-5-6-19(25)20(26)12-17)11-18(14)21-22(28)24(27-23(21)29)9-7-15(8-10-24)13-30-2/h3-6,11-12,15,28H,7-10,13H2,1-2H3,(H,27,29)/t15-,24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	73	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	75	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220140 (US9278925, 1-1) Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	78	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220130 (US9278925, V.1-a | US9278925, V.3-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220130 (US9278925, V.1-a | US9278925, V.3-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	81	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	83	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-967] (Homo sapiens (Human))	BDBM196504 (US9212140, C.1) Show SMILES CO[C@H]1CC[C@]2(CC1)NC(=O)C(=C2)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:5.8,2.1,c:12,(-7.43,1.12,;-6.34,.03,;-4.85,.43,;-4.45,1.92,;-2.96,2.32,;-1.87,1.23,;-2.27,-.26,;-3.76,-.66,;-1.87,2.77,;-.41,3.25,;.36,4.58,;.5,2,;-.41,.75,;2.04,2,;2.81,.67,;4.35,.67,;5.12,2,;4.35,3.33,;2.81,3.33,;2.04,4.67,;5.12,-.67,;4.35,-2,;5.12,-3.33,;6.66,-3.33,;7.43,-4.67,;7.43,-2,;6.66,-.67,)| Show InChI InChI=1S/C23H24ClNO2/c1-15-3-4-17(16-5-7-18(24)8-6-16)13-20(15)21-14-23(25-22(21)26)11-9-19(27-2)10-12-23/h3-8,13-14,19H,9-12H2,1-2H3,(H,25,26)/t19-,23+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	84	n/a	n/a	n/a	n/a	7.5	22
Bayer Intellectual Property GmbH US Patent					Assay Description Assay B1 (=(B1)): The hACC1-inhibitory action of the substances of the present invention was measured in the hACC 1 assay described in the paragraphs...				US Patent US9212140 (2015) BindingDB Entry DOI: 10.7270/Q22Z14BD
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220143 (US9278925, 1-4) Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)OC |r,wU:6.9,3.2,wD:3.33,c:13,(-8.75,.46,;-7.42,-.31,;-6.09,.46,;-4.75,-.31,;-3.42,-1.08,;-2.09,-.31,;-2.09,1.23,;-3.42,2,;-4.75,1.23,;-2.09,2.77,;-.62,3.25,;.15,4.58,;.28,2,;-.62,.75,;.15,-.58,;1.82,2,;2.59,.67,;4.13,.67,;4.9,2,;4.13,3.33,;2.59,3.33,;1.82,4.67,;4.9,-.67,;4.13,-2,;4.9,-3.33,;6.44,-3.33,;7.21,-4.67,;7.21,-2,;8.75,-2,;6.44,-.67,;-4.75,-1.85,;-6.09,-2.62,)| Show InChI InChI=1S/C25H27ClFNO4/c1-15-4-5-16(17-6-7-19(26)20(27)13-17)12-18(15)21-22(29)25(28-23(21)30)10-8-24(32-3,9-11-25)14-31-2/h4-7,12-13,29H,8-11,14H2,1-3H3,(H,28,30)/t24-,25-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	84	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220140 (US9278925, 1-1) Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F |r,wU:5.8,2.31,wD:2.1,c:12,(-5.98,-2.62,;-4.65,-1.85,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;.39,2,;-.52,.75,;.25,-.58,;1.93,2,;2.7,.67,;4.24,.67,;5.01,2,;4.24,3.33,;2.7,3.33,;1.93,4.67,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,)| Show InChI InChI=1S/C24H23ClF3NO3/c1-14-3-4-16(15-5-7-17(25)8-6-15)13-18(14)19-20(30)22(29-21(19)31)9-11-23(32-2,12-10-22)24(26,27)28/h3-8,13,30H,9-12H2,1-2H3,(H,29,31)/t22-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	87	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220133 (US9278925, V.2-a | US9278925, V.4-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1 |r,wU:6.9,2.2,wD:2.1,c:13,(-7.42,-2.62,;-6.09,-1.85,;-6.09,-.31,;-7.42,.46,;-4.75,-1.08,;-3.42,-.31,;-3.42,1.23,;-4.75,2,;-6.09,1.23,;-3.42,2.77,;-1.95,3.25,;-1.18,4.58,;-1.05,2,;-1.95,.75,;-1.18,-.58,;.49,2,;1.26,.67,;2.8,.67,;3.57,2,;2.8,3.33,;1.26,3.33,;.49,4.67,;3.57,-.67,;2.8,-2,;3.57,-3.33,;5.11,-3.33,;5.88,-4.67,;5.88,-2,;7.42,-2,;5.11,-.67,)| Show InChI InChI=1S/C24H25ClFNO3/c1-14-4-5-15(16-6-7-18(25)19(26)13-16)12-17(14)20-21(28)24(27-22(20)29)10-8-23(2,30-3)9-11-24/h4-7,12-13,28H,8-11H2,1-3H3,(H,27,29)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	90	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220130 (US9278925, V.1-a | US9278925, V.3-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	91	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220130 (US9278925, V.1-a | US9278925, V.3-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	91	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220137 (US9278925, V.3-b) Show SMILES COC[C@H]1CC[C@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,3.2,c:13,(-7.98,.46,;-6.65,-.31,;-5.32,.46,;-3.98,-.31,;-3.98,1.23,;-2.65,2,;-1.32,1.23,;-1.32,-.31,;-2.65,-1.08,;-1.32,2.77,;.15,3.25,;.92,4.58,;1.05,2,;.15,.75,;.92,-.58,;2.59,2,;3.36,.67,;4.9,.67,;5.67,2,;4.9,3.33,;3.36,3.33,;2.59,4.67,;5.67,-.67,;4.9,-2,;5.67,-3.33,;7.21,-3.33,;7.98,-4.67,;7.98,-2,;7.21,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-3-4-18(17-5-7-19(25)8-6-17)13-20(15)21-22(27)24(26-23(21)28)11-9-16(10-12-24)14-29-2/h3-8,13,16,27H,9-12,14H2,1-2H3,(H,26,28)/t16-,24+	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	92	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220141 (US9278925, 1-2) Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)C(F)(F)F |r,wU:5.8,2.32,wD:2.1,c:12,(-6.75,-2.62,;-5.42,-1.85,;-5.42,-.31,;-4.09,-1.08,;-2.75,-.31,;-2.75,1.23,;-4.09,2,;-5.42,1.23,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;-.38,2,;-1.29,.75,;-.52,-.58,;1.16,2,;1.93,.67,;3.47,.67,;4.24,2,;3.47,3.33,;1.93,3.33,;1.16,4.67,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,;-6.75,.46,;-8.09,-.31,;-6.75,2,;-8.09,1.23,)| Show InChI InChI=1S/C24H22ClF4NO3/c1-13-3-4-14(15-5-6-17(25)18(26)12-15)11-16(13)19-20(31)22(30-21(19)32)7-9-23(33-2,10-8-22)24(27,28)29/h3-6,11-12,31H,7-10H2,1-2H3,(H,30,32)/t22-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	92	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220141 (US9278925, 1-2) Show SMILES CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)C(F)(F)F |r,wU:5.8,2.32,wD:2.1,c:12,(-6.75,-2.62,;-5.42,-1.85,;-5.42,-.31,;-4.09,-1.08,;-2.75,-.31,;-2.75,1.23,;-4.09,2,;-5.42,1.23,;-2.75,2.77,;-1.29,3.25,;-.52,4.58,;-.38,2,;-1.29,.75,;-.52,-.58,;1.16,2,;1.93,.67,;3.47,.67,;4.24,2,;3.47,3.33,;1.93,3.33,;1.16,4.67,;4.24,-.67,;3.47,-2,;4.24,-3.33,;5.78,-3.33,;6.55,-4.67,;6.55,-2,;8.09,-2,;5.78,-.67,;-6.75,.46,;-8.09,-.31,;-6.75,2,;-8.09,1.23,)| Show InChI InChI=1S/C24H22ClF4NO3/c1-13-3-4-14(15-5-6-17(25)18(26)12-15)11-16(13)19-20(31)22(30-21(19)32)7-9-23(33-2,10-8-22)24(27,28)29/h3-6,11-12,31H,7-10H2,1-2H3,(H,30,32)/t22-,23-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	94	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220130 (US9278925, V.1-a | US9278925, V.3-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	97	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 [39-2346] (Homo sapiens (Human))	BDBM220130 (US9278925, V.1-a | US9278925, V.3-a) Show SMILES CO[C@@]1(C)CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1 |r,wU:6.9,2.2,wD:2.1,c:13,(-6.65,-2.62,;-5.32,-1.85,;-5.32,-.31,;-6.65,.46,;-3.98,-1.08,;-2.65,-.31,;-2.65,1.23,;-3.98,2,;-5.32,1.23,;-2.65,2.77,;-1.18,3.25,;-.41,4.58,;-.28,2,;-1.18,.75,;-.41,-.58,;1.26,2,;2.03,.67,;3.57,.67,;4.34,2,;3.57,3.33,;2.03,3.33,;1.26,4.67,;4.34,-.67,;3.57,-2,;4.34,-3.33,;5.88,-3.33,;6.65,-4.67,;6.65,-2,;5.88,-.67,)| Show InChI InChI=1S/C24H26ClNO3/c1-15-4-5-17(16-6-8-18(25)9-7-16)14-19(15)20-21(27)24(26-22(20)28)12-10-23(2,29-3)11-13-24/h4-9,14,27H,10-13H2,1-3H3,(H,26,28)/t23-,24-	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	97	n/a	n/a	n/a	n/a	7.5	22
BAYER INTELLECTUAL PROPERTY GMBH US Patent					Assay Description For the assay, 50 nl of a 100-times concentrated solution of the test substance in DMSO were pipetted into a white low-volume 384-well microtitre pla...				US Patent US9278925 (2016) BindingDB Entry DOI: 10.7270/Q2VM4B3K
					More data for this Ligand-Target Pair

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