BDBM50350755 CHEMBL1818299

SMILES: CN(C)CCOC1CN(C1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1

InChI Key: InChIKey=VPKGQKFBIHMVQA-HZCBDIJESA-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 = 50350755   

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 2 (ACC2) (Homo sapiens (Human))	BDBM50350755 (CHEMBL1818299) Show SMILES CN(C)CCOC1CN(C1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:20.21,wD:17.17,(31.97,-47.6,;30.63,-46.83,;30.63,-45.29,;29.3,-47.6,;27.96,-46.83,;26.63,-47.6,;25.29,-46.83,;23.81,-47.23,;23.42,-45.76,;24.9,-45.35,;22.09,-44.99,;22.09,-43.46,;20.76,-42.69,;20.76,-41.15,;22.1,-40.39,;19.43,-40.38,;19.43,-38.84,;18.1,-38.07,;18.1,-36.53,;16.77,-35.75,;15.44,-36.53,;14.1,-35.76,;14.1,-34.22,;12.76,-33.45,;12.75,-31.91,;11.43,-34.23,;10.09,-33.46,;8.76,-34.24,;10.09,-31.92,;8.75,-32.69,;15.44,-38.07,;16.77,-38.83,;19.43,-43.46,;18.11,-42.69,;16.77,-43.45,;16.77,-44.99,;18.1,-45.76,;19.42,-45,;20.75,-45.77,)| Show InChI InChI=1S/C30H45N5O4/c1-30(2,3)39-29(37)32-18-22-12-10-21(11-13-22)17-31-28(36)25-16-27(33-26-9-7-6-8-24(25)26)35-19-23(20-35)38-15-14-34(4)5/h6-9,16,21-23H,10-15,17-20H2,1-5H3,(H,31,36)(H,32,37)/t21-,22-	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	630	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
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50350755 (CHEMBL1818299) Show SMILES CN(C)CCOC1CN(C1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:20.21,wD:17.17,(31.97,-47.6,;30.63,-46.83,;30.63,-45.29,;29.3,-47.6,;27.96,-46.83,;26.63,-47.6,;25.29,-46.83,;23.81,-47.23,;23.42,-45.76,;24.9,-45.35,;22.09,-44.99,;22.09,-43.46,;20.76,-42.69,;20.76,-41.15,;22.1,-40.39,;19.43,-40.38,;19.43,-38.84,;18.1,-38.07,;18.1,-36.53,;16.77,-35.75,;15.44,-36.53,;14.1,-35.76,;14.1,-34.22,;12.76,-33.45,;12.75,-31.91,;11.43,-34.23,;10.09,-33.46,;8.76,-34.24,;10.09,-31.92,;8.75,-32.69,;15.44,-38.07,;16.77,-38.83,;19.43,-43.46,;18.11,-42.69,;16.77,-43.45,;16.77,-44.99,;18.1,-45.76,;19.42,-45,;20.75,-45.77,)| Show InChI InChI=1S/C30H45N5O4/c1-30(2,3)39-29(37)32-18-22-12-10-21(11-13-22)17-31-28(36)25-16-27(33-26-9-7-6-8-24(25)26)35-19-23(20-35)38-15-14-34(4)5/h6-9,16,21-23H,10-15,17-20H2,1-5H3,(H,31,36)(H,32,37)/t21-,22-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.50E+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