BDBM50437708 CHEMBL2409073

SMILES: Fc1cccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)c2nnn[nH]2)c1

InChI Key: InChIKey=BVKCXNRNOXUDSQ-GOSISDBHSA-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 = 50437708   

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 NIMA-interacting 1 (Homo sapiens (Human))	BDBM50437708 (CHEMBL2409073) Show SMILES Fc1cccc(C[C@@H](NC(=O)c2ccc3ccccc3c2)c2nnn[nH]2)c1 |r| Show InChI InChI=1S/C20H16FN5O/c21-17-7-3-4-13(10-17)11-18(19-23-25-26-24-19)22-20(27)16-9-8-14-5-1-2-6-15(14)12-16/h1-10,12,18H,11H2,(H,22,27)(H,23,24,25,26)/t18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Horizon Discovery Curated by ChEMBL					Assay Description Inhibition of human Pin1				Bioorg Med Chem Lett 23: 4283-91 (2013) Article DOI: 10.1016/j.bmcl.2013.05.088 BindingDB Entry DOI: 10.7270/Q2DV1M9T
					More data for this Ligand-Target Pair