BDBM50039667 CHEMBL479910

SMILES: [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O

InChI Key: InChIKey=XLPAINGDLCDYQV-SDTWUMECSA-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 = 50039667   

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))	BDBM50039667 (CHEMBL479910) Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]-[#6]-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](-[#8])=O |r,c:6| Show InChI InChI=1S/C30H46O3/c1-19(2)9-8-10-20(26(32)33)21-13-17-30(7)23-11-12-24-27(3,4)25(31)15-16-28(24,5)22(23)14-18-29(21,30)6/h9,20-21,24H,8,10-18H2,1-7H3,(H,32,33)/t20-,21-,24-,28+,29-,30+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.32E+4	n/a	n/a	n/a	n/a	n/a	n/a
Shenyang Pharmaceutical University Curated by ChEMBL					Assay Description Inhibition of Pin1 (unknown origin) using Suc-Ala-Glu-Pro-Phe-4-nitroanilide as substrate after 30 mins by protease-coupled assay				Bioorg Med Chem Lett 24: 5612-5 (2014) Article DOI: 10.1016/j.bmcl.2014.10.087 BindingDB Entry DOI: 10.7270/Q2MG7R4K
					More data for this Ligand-Target Pair