BDBM220134 US9278925, V.2-b

SMILES: Cc1ccc(cc1C1=C(O)[C@]2(CC[C@@H](CC2)C(F)(F)F)NC1=O)-c1ccc(Cl)c(F)c1

InChI Key: InChIKey=TZPOKOHORLSGEU-FVUUGDKNSA-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 = 220134   

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))	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 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 2 (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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	610	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))	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 GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	580	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))	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 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