BDBM220142 US9278925, 1-3

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

InChI Key: InChIKey=UXFQAQYZDQWZHD-SOAUALDESA-N

Data: 4 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 4 hits for monomerid = 220142   

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 [39-2346] (Homo sapiens (Human))	BDBM220142 (US9278925, 1-3) Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)OC |r,wU:6.9,3.2,wD:3.32,c:13,(-7.98,.46,;-6.65,-.31,;-5.32,.46,;-3.98,-.31,;-2.65,-1.08,;-1.32,-.31,;-1.32,1.23,;-2.65,2,;-3.98,1.23,;-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,;-3.98,-1.85,;-5.32,-2.62,)| Show InChI InChI=1S/C25H28ClNO4/c1-16-4-5-18(17-6-8-19(26)9-7-17)14-20(16)21-22(28)25(27-23(21)29)12-10-24(31-3,11-13-25)15-30-2/h4-9,14,28H,10-13,15H2,1-3H3,(H,27,29)/t24-,25-	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	165	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 [27-2458] (Homo sapiens (Human))	BDBM220142 (US9278925, 1-3) Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)OC |r,wU:6.9,3.2,wD:3.32,c:13,(-7.98,.46,;-6.65,-.31,;-5.32,.46,;-3.98,-.31,;-2.65,-1.08,;-1.32,-.31,;-1.32,1.23,;-2.65,2,;-3.98,1.23,;-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,;-3.98,-1.85,;-5.32,-2.62,)| Show InChI InChI=1S/C25H28ClNO4/c1-16-4-5-18(17-6-8-19(26)9-7-17)14-20(16)21-22(28)25(27-23(21)29)12-10-24(31-3,11-13-25)15-30-2/h4-9,14,28H,10-13,15H2,1-3H3,(H,27,29)/t24-,25-	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.55E+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 [27-2458] (Homo sapiens (Human))	BDBM220142 (US9278925, 1-3) Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)OC |r,wU:6.9,3.2,wD:3.32,c:13,(-7.98,.46,;-6.65,-.31,;-5.32,.46,;-3.98,-.31,;-2.65,-1.08,;-1.32,-.31,;-1.32,1.23,;-2.65,2,;-3.98,1.23,;-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,;-3.98,-1.85,;-5.32,-2.62,)| Show InChI InChI=1S/C25H28ClNO4/c1-16-4-5-18(17-6-8-19(26)9-7-17)14-20(16)21-22(28)25(27-23(21)29)12-10-24(31-3,11-13-25)15-30-2/h4-9,14,28H,10-13,15H2,1-3H3,(H,27,29)/t24-,25-	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.08E+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 [39-2346] (Homo sapiens (Human))	BDBM220142 (US9278925, 1-3) Show SMILES COC[C@@]1(CC[C@@]2(CC1)NC(=O)C(=C2O)c1cc(ccc1C)-c1ccc(Cl)cc1)OC |r,wU:6.9,3.2,wD:3.32,c:13,(-7.98,.46,;-6.65,-.31,;-5.32,.46,;-3.98,-.31,;-2.65,-1.08,;-1.32,-.31,;-1.32,1.23,;-2.65,2,;-3.98,1.23,;-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,;-3.98,-1.85,;-5.32,-2.62,)| Show InChI InChI=1S/C25H28ClNO4/c1-16-4-5-18(17-6-8-19(26)9-7-17)14-20(16)21-22(28)25(27-23(21)29)12-10-24(31-3,11-13-25)15-30-2/h4-9,14,28H,10-13,15H2,1-3H3,(H,27,29)/t24-,25-	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	146	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