BDBM50500614 CHEMBL3754544

SMILES: COc1ccc(CCC(=O)N(C(C(=O)NC2CCCCC2)c2ccc(cc2)[N+]([O-])=O)c2ccc(Br)cc2)cc1

InChI Key: InChIKey=IKTKWRDEWFJXQH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50500614   

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
Peptidyl-prolyl cis-trans isomerase A (Homo sapiens (Human))	BDBM50500614 (CHEMBL3754544) Show SMILES COc1ccc(CCC(=O)N(C(C(=O)NC2CCCCC2)c2ccc(cc2)[N+]([O-])=O)c2ccc(Br)cc2)cc1 Show InChI InChI=1S/C30H32BrN3O5/c1-39-27-18-7-21(8-19-27)9-20-28(35)33(25-16-12-23(31)13-17-25)29(22-10-14-26(15-11-22)34(37)38)30(36)32-24-5-3-2-4-6-24/h7-8,10-19,24,29H,2-6,9,20H2,1H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
Chonnam National University Curated by ChEMBL					Assay Description Inhibition of Cyclophilin A peptidyl-prolyl cis-trans isomerase activity (unknown origin) using Succ-Ala-Leu-Pro-Phe-p-nitroaniline as substrate by I...				J Med Chem 58: 9546-61 (2015) Article DOI: 10.1021/acs.jmedchem.5b01064 BindingDB Entry DOI: 10.7270/Q2RF5Z1V
					More data for this Ligand-Target Pair