BDBM50350745 CHEMBL1818294

SMILES: CN(C)CCN1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1

InChI Key: InChIKey=HHBNPIUEFHEVKO-RQNOJGIXSA-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 = 50350745   

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))	BDBM50350745 (CHEMBL1818294) Show SMILES CN(C)CCN1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(5.51,-31.62,;5.5,-30.07,;6.83,-29.3,;4.16,-29.31,;4.16,-27.77,;2.82,-27,;1.49,-27.77,;.15,-27.01,;.15,-25.46,;1.48,-24.69,;2.81,-25.45,;-1.18,-24.7,;-1.18,-23.16,;-2.51,-22.4,;-2.51,-20.86,;-1.18,-20.09,;-3.85,-20.08,;-3.84,-18.54,;-5.18,-17.77,;-5.18,-16.23,;-6.51,-15.45,;-7.84,-16.23,;-9.18,-15.46,;-9.18,-13.92,;-10.53,-13.15,;-10.54,-11.61,;-11.85,-13.93,;-13.19,-13.16,;-14.52,-13.94,;-13.2,-11.62,;-14.53,-12.39,;-7.84,-17.77,;-6.51,-18.53,;-3.85,-23.17,;-5.17,-22.4,;-6.5,-23.16,;-6.5,-24.7,;-5.18,-25.46,;-3.85,-24.7,;-2.52,-25.47,)| Show InChI InChI=1S/C31H48N6O3/c1-31(2,3)40-30(39)33-22-24-12-10-23(11-13-24)21-32-29(38)26-20-28(34-27-9-7-6-8-25(26)27)37-18-16-36(17-19-37)15-14-35(4)5/h6-9,20,23-24H,10-19,21-22H2,1-5H3,(H,32,38)(H,33,39)/t23-,24-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.30E+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))	BDBM50350745 (CHEMBL1818294) Show SMILES CN(C)CCN1CCN(CC1)c1cc(C(=O)NC[C@H]2CC[C@H](CNC(=O)OC(C)(C)C)CC2)c2ccccc2n1 |r,wU:21.22,wD:18.18,(5.51,-31.62,;5.5,-30.07,;6.83,-29.3,;4.16,-29.31,;4.16,-27.77,;2.82,-27,;1.49,-27.77,;.15,-27.01,;.15,-25.46,;1.48,-24.69,;2.81,-25.45,;-1.18,-24.7,;-1.18,-23.16,;-2.51,-22.4,;-2.51,-20.86,;-1.18,-20.09,;-3.85,-20.08,;-3.84,-18.54,;-5.18,-17.77,;-5.18,-16.23,;-6.51,-15.45,;-7.84,-16.23,;-9.18,-15.46,;-9.18,-13.92,;-10.53,-13.15,;-10.54,-11.61,;-11.85,-13.93,;-13.19,-13.16,;-14.52,-13.94,;-13.2,-11.62,;-14.53,-12.39,;-7.84,-17.77,;-6.51,-18.53,;-3.85,-23.17,;-5.17,-22.4,;-6.5,-23.16,;-6.5,-24.7,;-5.18,-25.46,;-3.85,-24.7,;-2.52,-25.47,)| Show InChI InChI=1S/C31H48N6O3/c1-31(2,3)40-30(39)33-22-24-12-10-23(11-13-24)21-32-29(38)26-20-28(34-27-9-7-6-8-25(26)27)37-18-16-36(17-19-37)15-14-35(4)5/h6-9,20,23-24H,10-19,21-22H2,1-5H3,(H,32,38)(H,33,39)/t23-,24-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	730	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