BDBM50034496 CHEMBL3359261

SMILES: CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12

InChI Key: InChIKey=FHBBPFODBREWBF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50034496   

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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50034496 (CHEMBL3359261) Show SMILES CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-22(2,3)28-20-17(14-25-28)11-23(12-19(20)29)6-8-27(9-7-23)21(30)15-4-5-18-16(10-15)13-24-26-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. Curated by ChEMBL					Assay Description Inhibition of human ERG channel by patch-clamp 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 1 (ACC1) (Homo sapiens (Human))	BDBM50034496 (CHEMBL3359261) Show SMILES CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-22(2,3)28-20-17(14-25-28)11-23(12-19(20)29)6-8-27(9-7-23)21(30)15-4-5-18-16(10-15)13-24-26-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,26)	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	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))	BDBM50034496 (CHEMBL3359261) Show SMILES CC(C)(C)n1ncc2CC3(CCN(CC3)C(=O)c3ccc4[nH]ncc4c3)CC(=O)c12 Show InChI InChI=1S/C23H27N5O2/c1-22(2,3)28-20-17(14-25-28)11-23(12-19(20)29)6-8-27(9-7-23)21(30)15-4-5-18-16(10-15)13-24-26-18/h4-5,10,13-14H,6-9,11-12H2,1-3H3,(H,24,26)	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	17	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