BDBM50039742 CHEMBL3357852

SMILES: [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]\[#6](=[#6]/[#6](-[#8])=O)-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6]-c1ccccc1

InChI Key: InChIKey=ZDIDYUCZHCFVOB-VGUPQTSQSA-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 = 50039742   

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))	BDBM50039742 (CHEMBL3357852) Show SMILES [H][C@]1([#6]-[#6][C@]2([#6])[#6]-3=[#6](-[#6]-[#6][C@@]12[#6])[C@@]1([#6])[#6]\[#6](=[#6]/[#6](-[#8])=O)-[#6](=O)C([#6])([#6])[C@]1([H])[#6]-[#6]-3)[#6@H](-[#6]-[#6]\[#6]=[#6](\[#6])-[#6])-[#6](=O)-[#8]-[#6]-c1ccccc1 |r,c:6| Show InChI InChI=1S/C39H52O5/c1-25(2)12-11-15-28(35(43)44-24-26-13-9-8-10-14-26)29-18-20-39(7)31-16-17-32-36(3,4)34(42)27(22-33(40)41)23-37(32,5)30(31)19-21-38(29,39)6/h8-10,12-14,22,28-29,32H,11,15-21,23-24H2,1-7H3,(H,40,41)/b27-22+/t28-,29-,32-,37+,38-,39+/m0/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	570	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