BDBM34014 3-methylphenylalanine derivative, 22b

SMILES: Cc1cccc(C[C@H](COP(O)(O)=O)NC(=O)c2cc3ccccc3s2)c1

InChI Key: InChIKey=VJUQXEZAYUVHJF-MRXNPFEDSA-N

Data: 1 KI

PDB links: 1 PDB ID matches this monomer.

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 = 34014   

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
PPIase Pin1 (Homo sapiens (Human))	BDBM34014 (3-methylphenylalanine derivative, 22b) Show SMILES Cc1cccc(C[C@H](COP(O)(O)=O)NC(=O)c2cc3ccccc3s2)c1 |r| Show InChI InChI=1S/C19H20NO5PS/c1-13-5-4-6-14(9-13)10-16(12-25-26(22,23)24)20-19(21)18-11-15-7-2-3-8-17(15)27-18/h2-9,11,16H,10,12H2,1H3,(H,20,21)(H2,22,23,24)/t16-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	57	-9.54	n/a	n/a	n/a	n/a	n/a	7.5	15
Pfizer					Assay Description The cis/trans conversion of cis-Suc-AEPFpNA peptide by the PPIase led to the cleavage of para nitroaniline by subtilisin which was monitored at 390 n...				Bioorg Med Chem Lett 19: 5613-6 (2009) Article DOI: 10.1016/j.bmcl.2009.08.034 BindingDB Entry DOI: 10.7270/Q2XD100H
					More data for this Ligand-Target Pair				3D Structure (crystal)