BDBM50350752 CHEMBL1818302

SMILES: CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC3CCOCC3)CC2)c2ccccc2n1

InChI Key: InChIKey=CMBXCQWAQLETTR-DIVCQZSQSA-N

Data: 2 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 2 hits for monomerid = 50350752   

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 (ACC1) (Homo sapiens (Human))	BDBM50350752 (CHEMBL1818302) Show SMILES CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC3CCOCC3)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(33.6,-14.34,;33.6,-12.8,;34.93,-12.03,;32.26,-12.03,;32.26,-10.49,;30.93,-9.72,;29.59,-10.48,;28.26,-9.72,;28.27,-8.19,;29.59,-7.4,;30.93,-8.17,;26.93,-7.42,;26.92,-5.87,;25.59,-5.11,;25.58,-3.57,;26.91,-2.8,;24.24,-2.81,;24.23,-1.27,;22.9,-.51,;22.89,1.04,;21.56,1.8,;20.22,1.03,;18.89,1.8,;18.89,3.34,;17.55,4.11,;17.55,5.65,;16.22,3.34,;14.88,4.1,;14.89,5.65,;13.56,6.41,;12.22,5.65,;12.22,4.11,;13.56,3.33,;20.23,-.51,;21.57,-1.28,;24.26,-5.88,;22.93,-5.12,;21.6,-5.89,;21.6,-7.43,;22.93,-8.21,;24.26,-7.43,;25.6,-8.19,)| Show InChI InChI=1S/C33H49N5O4/c1-37(2)16-11-24-12-17-38(18-13-24)31-21-29(28-5-3-4-6-30(28)36-31)32(39)34-22-25-7-9-26(10-8-25)23-35-33(40)42-27-14-19-41-20-15-27/h3-6,21,24-27H,7-20,22-23H2,1-2H3,(H,34,39)(H,35,40)/t25-,26-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC1 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50350752 (CHEMBL1818302) Show SMILES CN(C)CCC1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC3CCOCC3)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(33.6,-14.34,;33.6,-12.8,;34.93,-12.03,;32.26,-12.03,;32.26,-10.49,;30.93,-9.72,;29.59,-10.48,;28.26,-9.72,;28.27,-8.19,;29.59,-7.4,;30.93,-8.17,;26.93,-7.42,;26.92,-5.87,;25.59,-5.11,;25.58,-3.57,;26.91,-2.8,;24.24,-2.81,;24.23,-1.27,;22.9,-.51,;22.89,1.04,;21.56,1.8,;20.22,1.03,;18.89,1.8,;18.89,3.34,;17.55,4.11,;17.55,5.65,;16.22,3.34,;14.88,4.1,;14.89,5.65,;13.56,6.41,;12.22,5.65,;12.22,4.11,;13.56,3.33,;20.23,-.51,;21.57,-1.28,;24.26,-5.88,;22.93,-5.12,;21.6,-5.89,;21.6,-7.43,;22.93,-8.21,;24.26,-7.43,;25.6,-8.19,)| Show InChI InChI=1S/C33H49N5O4/c1-37(2)16-11-24-12-17-38(18-13-24)31-21-29(28-5-3-4-6-30(28)36-31)32(39)34-22-25-7-9-26(10-8-25)23-35-33(40)42-27-14-19-41-20-15-27/h3-6,21,24-27H,7-20,22-23H2,1-2H3,(H,34,39)(H,35,40)/t25-,26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	680	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Research and Development Curated by ChEMBL					Assay Description Inhibition of human recombinant his-tagged ACC2 expressed in baculovirus/Sf9 cell assessed as inorganic phosphate formation preincubated for 15 mins ...				Bioorg Med Chem 19: 3039-53 (2011) Article DOI: 10.1016/j.bmc.2011.04.014 BindingDB Entry DOI: 10.7270/Q2G44QN2
					More data for this Ligand-Target Pair