BDBM50167703 3-Iodo-N-{[[(4-methoxy-benzylcarbamoyl)-methyl]-(phenethylcarbamoyl-methyl)-carbamoyl]-methyl}-benzamide::CHEMBL193445

SMILES: COc1ccc(CNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)CNC(=O)c2cccc(I)c2)cc1

InChI Key: InChIKey=DDPUPDYFHDWQRO-UHFFFAOYSA-N

Data: 1 KI

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 1 hit for monomerid = 50167703   

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
AICAR transformylase (Homo sapiens (Human))	BDBM50167703 (3-Iodo-N-{[[(4-methoxy-benzylcarbamoyl)-methyl]-(p...) Show SMILES COc1ccc(CNC(=O)CN(CC(=O)NCCc2ccccc2)C(=O)CNC(=O)c2cccc(I)c2)cc1 Show InChI InChI=1S/C29H31IN4O5/c1-39-25-12-10-22(11-13-25)17-32-27(36)20-34(19-26(35)31-15-14-21-6-3-2-4-7-21)28(37)18-33-29(38)23-8-5-9-24(30)16-23/h2-13,16H,14-15,17-20H2,1H3,(H,31,35)(H,32,36)(H,33,38)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The Scripps Research Institute Curated by ChEMBL					Assay Description Inhibition constant against AICAR formyltransferase				Bioorg Med Chem Lett 15: 2840-4 (2005) Article DOI: 10.1016/j.bmcl.2005.03.094 BindingDB Entry DOI: 10.7270/Q22V2FNH
					More data for this Ligand-Target Pair