BDBM50224859 (R,E)-3-((R)-2-((2-(1H-indol-3-yl)ethyl)carbamoyl)cyclopentylidene)-2-(((9H-fluoren-9-yl)methoxy)carbonyl)propyl phosphate

SMILES: [O-]P([O-])(=O)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)\C=C1/CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12

InChI Key: InChIKey=TXHBVFNPFKJFNF-LTXCWQKFSA-L

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 = 50224859   

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))	BDBM50224859 ((R,E)-3-((R)-2-((2-(1H-indol-3-yl)ethyl)carbamoyl)...) Show SMILES [O-]P([O-])(=O)OC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc12)\C=C1/CCC[C@H]1C(=O)NCCc1c[nH]c2ccccc12 Show InChI InChI=1S/C34H36N3O7P/c38-33(35-17-16-23-19-36-32-15-6-5-9-25(23)32)26-14-7-8-22(26)18-24(20-44-45(40,41)42)37-34(39)43-21-31-29-12-3-1-10-27(29)28-11-2-4-13-30(28)31/h1-6,9-13,15,18-19,24,26,31,36H,7-8,14,16-17,20-21H2,(H,35,38)(H,37,39)(H2,40,41,42)/p-2/b22-18+/t24-,26-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.83E+4	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of Pin1 PPIase activity				Bioorg Med Chem Lett 17: 6615-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.073 BindingDB Entry DOI: 10.7270/Q25H7H40
					More data for this Ligand-Target Pair