BDBM50437707 CHEMBL2409072

SMILES: OP(O)(=O)OC[C@@H](CN1CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc12

InChI Key: InChIKey=NWLYVIUSPJRFAH-IPBJYNAHSA-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 = 50437707   

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))	BDBM50437707 (CHEMBL2409072) Show SMILES OP(O)(=O)OC[C@@H](CN1CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc12 |r| Show InChI InChI=1S/C33H37N4O7P/c38-32(34-16-15-22-18-35-30-13-6-5-8-24(22)30)31-14-7-17-37(31)19-23(20-44-45(40,41)42)36-33(39)43-21-29-27-11-3-1-9-25(27)26-10-2-4-12-28(26)29/h1-6,8-13,18,23,29,31,35H,7,14-17,19-21H2,(H,34,38)(H,36,39)(H2,40,41,42)/t23-,31+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Horizon Discovery Curated by ChEMBL					Assay Description Inhibition of Pin1 (unknown origin)				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