BDBM50365287 CHEMBL1958368

SMILES: CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]cc(C)c4c3)CC2=O)c1C

InChI Key: InChIKey=DXOPPMVNXZZJRP-UHFFFAOYSA-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 = 50365287   

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))	BDBM50365287 (CHEMBL1958368) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]cc(C)c4c3)CC2=O)c1C Show InChI InChI=1S/C24H28N4O3/c1-5-28-16(4)22-21(26-28)19(29)12-24(31-22)6-8-27(9-7-24)23(30)17-10-14(2)20-18(11-17)15(3)13-25-20/h10-11,13,25H,5-9,12H2,1-4H3	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	29	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human Acetyl-CoA carboxylase 2 expressed in CHO cells after 1 hr by fluorescence assay				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Rattus norvegicus (Rat))	BDBM50365287 (CHEMBL1958368) Show SMILES CCn1nc2c(OC3(CCN(CC3)C(=O)c3cc(C)c4[nH]cc(C)c4c3)CC2=O)c1C Show InChI InChI=1S/C24H28N4O3/c1-5-28-16(4)22-21(26-28)19(29)12-24(31-22)6-8-27(9-7-24)23(30)17-10-14(2)20-18(11-17)15(3)13-25-20/h10-11,13,25H,5-9,12H2,1-4H3	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	9.10	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of rat liver Acetyl-CoA carboxylase 1 using acetyl-CoA as substrate preincubated for 10 mins prior substrate addition measured after 20 mi...				J Med Chem 55: 935-42 (2012) Article DOI: 10.1021/jm201503u BindingDB Entry DOI: 10.7270/Q2CZ37MS
					More data for this Ligand-Target Pair