BDBM220143 US9278925, 1-4

SMILES: COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)c(F)c1)OC

InChI Key: InChIKey=OAWROPVLCGVWIS-SOAUALDESA-N

Data: 12 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 12 hits for monomerid = 220143   

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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	104	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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	133	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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	131	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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	116	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))	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 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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.12E+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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.35E+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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.06E+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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.05E+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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.82E+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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.30E+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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	123	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