BDBM50350740 CHEMBL1818195

SMILES: CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cn[nH]c2)CC1

InChI Key: InChIKey=YVGUSZYHTVQINQ-IYARVYRRSA-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 = 50350740   

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))	BDBM50350740 (CHEMBL1818195) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cn[nH]c2)CC1 |r,wU:9.8,wD:12.12,(32.95,-30.15,;34.28,-29.38,;34.28,-27.84,;32.94,-28.61,;35.62,-30.14,;36.95,-29.37,;36.95,-27.83,;38.29,-30.14,;38.29,-31.68,;39.63,-32.44,;40.96,-31.67,;42.29,-32.44,;42.29,-33.98,;43.62,-34.76,;43.62,-36.3,;44.95,-37.07,;46.29,-36.3,;44.95,-38.61,;46.28,-39.37,;46.29,-40.91,;44.95,-41.68,;43.61,-40.91,;42.29,-41.67,;40.97,-40.91,;40.97,-39.37,;42.3,-38.61,;43.62,-39.38,;47.62,-41.67,;47.79,-43.2,;49.3,-43.52,;50.06,-42.18,;49.03,-41.04,;40.96,-34.75,;39.63,-33.98,)| Show InChI InChI=1S/C26H33N5O3/c1-26(2,3)34-25(33)28-14-18-10-8-17(9-11-18)13-27-24(32)21-12-23(19-15-29-30-16-19)31-22-7-5-4-6-20(21)22/h4-7,12,15-18H,8-11,13-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,30)/t17-,18-	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.30E+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))	BDBM50350740 (CHEMBL1818195) Show SMILES CC(C)(C)OC(=O)NC[C@H]1CC[C@H](CNC(=O)c2cc(nc3ccccc23)-c2cn[nH]c2)CC1 |r,wU:9.8,wD:12.12,(32.95,-30.15,;34.28,-29.38,;34.28,-27.84,;32.94,-28.61,;35.62,-30.14,;36.95,-29.37,;36.95,-27.83,;38.29,-30.14,;38.29,-31.68,;39.63,-32.44,;40.96,-31.67,;42.29,-32.44,;42.29,-33.98,;43.62,-34.76,;43.62,-36.3,;44.95,-37.07,;46.29,-36.3,;44.95,-38.61,;46.28,-39.37,;46.29,-40.91,;44.95,-41.68,;43.61,-40.91,;42.29,-41.67,;40.97,-40.91,;40.97,-39.37,;42.3,-38.61,;43.62,-39.38,;47.62,-41.67,;47.79,-43.2,;49.3,-43.52,;50.06,-42.18,;49.03,-41.04,;40.96,-34.75,;39.63,-33.98,)| Show InChI InChI=1S/C26H33N5O3/c1-26(2,3)34-25(33)28-14-18-10-8-17(9-11-18)13-27-24(32)21-12-23(19-15-29-30-16-19)31-22-7-5-4-6-20(21)22/h4-7,12,15-18H,8-11,13-14H2,1-3H3,(H,27,32)(H,28,33)(H,29,30)/t17-,18-	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	570	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