BDBM220131 US9278925, V.1-b

SMILES: Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)cc1

InChI Key: InChIKey=AVWHXEGGMYSKIH-MIRVZWSXSA-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 = 220131   

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))	BDBM220131 (US9278925, V.1-b) Show SMILES Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)cc1 |r,wU:10.21,13.17,c:8,(1.93,4.67,;2.7,3.33,;4.24,3.33,;5.01,2,;4.24,.67,;2.7,.67,;1.93,2,;.39,2,;-.52,.75,;.25,-.58,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,)| Show InChI InChI=1S/C23H21ClF3NO2/c1-13-2-3-15(14-4-6-17(24)7-5-14)12-18(13)19-20(29)22(28-21(19)30)10-8-16(9-11-22)23(25,26)27/h2-7,12,16,29H,8-11H2,1H3,(H,28,30)/t16-,22+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	109	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))	BDBM220131 (US9278925, V.1-b) Show SMILES Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)cc1 |r,wU:10.21,13.17,c:8,(1.93,4.67,;2.7,3.33,;4.24,3.33,;5.01,2,;4.24,.67,;2.7,.67,;1.93,2,;.39,2,;-.52,.75,;.25,-.58,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,)| Show InChI InChI=1S/C23H21ClF3NO2/c1-13-2-3-15(14-4-6-17(24)7-5-14)12-18(13)19-20(29)22(28-21(19)30)10-8-16(9-11-22)23(25,26)27/h2-7,12,16,29H,8-11H2,1H3,(H,28,30)/t16-,22+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	940	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))	BDBM220131 (US9278925, V.1-b) Show SMILES Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)cc1 |r,wU:10.21,13.17,c:8,(1.93,4.67,;2.7,3.33,;4.24,3.33,;5.01,2,;4.24,.67,;2.7,.67,;1.93,2,;.39,2,;-.52,.75,;.25,-.58,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,)| Show InChI InChI=1S/C23H21ClF3NO2/c1-13-2-3-15(14-4-6-17(24)7-5-14)12-18(13)19-20(29)22(28-21(19)30)10-8-16(9-11-22)23(25,26)27/h2-7,12,16,29H,8-11H2,1H3,(H,28,30)/t16-,22+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.22E+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))	BDBM220131 (US9278925, V.1-b) Show SMILES Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)cc1 |r,wU:10.21,13.17,c:8,(1.93,4.67,;2.7,3.33,;4.24,3.33,;5.01,2,;4.24,.67,;2.7,.67,;1.93,2,;.39,2,;-.52,.75,;.25,-.58,;-1.98,1.23,;-3.32,2,;-4.65,1.23,;-4.65,-.31,;-3.32,-1.08,;-1.98,-.31,;-5.98,.46,;-7.32,-.31,;-5.98,2,;-7.32,1.23,;-1.98,2.77,;-.52,3.25,;.25,4.58,;5.01,-.67,;4.24,-2,;5.01,-3.33,;6.55,-3.33,;7.32,-4.67,;7.32,-2,;6.55,-.67,)| Show InChI InChI=1S/C23H21ClF3NO2/c1-13-2-3-15(14-4-6-17(24)7-5-14)12-18(13)19-20(29)22(28-21(19)30)10-8-16(9-11-22)23(25,26)27/h2-7,12,16,29H,8-11H2,1H3,(H,28,30)/t16-,22+	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	111	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