BDBM220140 US9278925, 1-1

SMILES: CO[C@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)C(F)(F)F

InChI Key: InChIKey=WWNQMNAOMGKWKD-YHBQERECSA-N

Data: 20 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 20 hits for monomerid = 220140   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Acetyl-CoA carboxylase 1 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	231	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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.57E+3	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 (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 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 (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 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 (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 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 (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 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 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	162	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 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	186	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 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	99	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 (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 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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.15E+4	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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.35E+4	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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.31E+3	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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.15E+3	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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.46E+3	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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.42E+3	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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.39E+3	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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.50E+3	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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	980	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 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	244	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