BDBM50439631 CHEMBL2419608

SMILES: Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(c1C(=O)N2)C(C)(C)C

InChI Key: InChIKey=NMQRSNGVNQRDDW-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 = 50439631   

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))	BDBM50439631 (CHEMBL2419608) Show SMILES Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(c1C(=O)N2)C(C)(C)C Show InChI InChI=1S/C24H30N6O2/c1-14-10-16(11-18-15(2)27-28-19(14)18)22(32)29-8-6-24(7-9-29)12-17-13-25-30(23(3,4)5)20(17)21(31)26-24/h10-11,13H,6-9,12H2,1-5H3,(H,26,31)(H,27,28)	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	68	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC2 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair
Acetyl-CoA carboxylase 1 (ACC1) (Homo sapiens (Human))	BDBM50439631 (CHEMBL2419608) Show SMILES Cc1n[nH]c2c(C)cc(cc12)C(=O)N1CCC2(CC1)Cc1cnn(c1C(=O)N2)C(C)(C)C Show InChI InChI=1S/C24H30N6O2/c1-14-10-16(11-18-15(2)27-28-19(14)18)22(32)29-8-6-24(7-9-29)12-17-13-25-30(23(3,4)5)20(17)21(31)26-24/h10-11,13H,6-9,12H2,1-5H3,(H,26,31)(H,27,28)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	65	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ACC1 using acetyl-CoA as substrate assessed as [14C]malonyl-CoA synthesis preincubated for 10 mins prior to substrate addition me...				J Med Chem 56: 7110-9 (2013) Article DOI: 10.1021/jm401033t BindingDB Entry DOI: 10.7270/Q2JW8G9D
					More data for this Ligand-Target Pair