BDBM50034497 CHEMBL3359263

SMILES: CCn1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12

InChI Key: InChIKey=NTZNNYUOWHCXTM-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 = 50034497   

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))	BDBM50034497 (CHEMBL3359263) Show SMILES CCn1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C21H23N5O2/c1-2-26-19-16(13-23-26)10-21(11-18(19)27)5-7-25(8-6-21)20(28)14-3-4-17-15(9-14)12-22-24-17/h3-4,9,12-13H,2,5-8,10-11H2,1H3,(H,22,24)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	317	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC1 after 1 hr by transcreener assay				J Med Chem 57: 10512-26 (2014) Article DOI: 10.1021/jm5016022 BindingDB Entry DOI: 10.7270/Q2SN0BJM
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 2 (ACC2) (Homo sapiens (Human))	BDBM50034497 (CHEMBL3359263) Show SMILES CCn1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C21H23N5O2/c1-2-26-19-16(13-23-26)10-21(11-18(19)27)5-7-25(8-6-21)20(28)14-3-4-17-15(9-14)12-22-24-17/h3-4,9,12-13H,2,5-8,10-11H2,1H3,(H,22,24)	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	161	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant ACC2 after 1 hr by transcreener assay				J Med Chem 57: 10512-26 (2014) Article DOI: 10.1021/jm5016022 BindingDB Entry DOI: 10.7270/Q2SN0BJM
					More data for this Ligand-Target Pair