BDBM50039668 CHEMBL3357846

SMILES: [H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3)[C@H](CCC(O)=O)C(=O)OCc1ccccc1

InChI Key: InChIKey=VHAMUAPHHPFYFH-XDPXTERHSA-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 = 50039668   

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))	BDBM50039668 (CHEMBL3357846) Show SMILES [H][C@]1(CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@]1([H])CC3)[C@H](CCC(O)=O)C(=O)OCc1ccccc1 |r,c:6| Show InChI InChI=1S/C34H46O5/c1-31(2)27-13-12-26-25(32(27,3)18-17-28(31)35)16-20-33(4)24(15-19-34(26,33)5)23(11-14-29(36)37)30(38)39-21-22-9-7-6-8-10-22/h6-10,23-24,27H,11-21H2,1-5H3,(H,36,37)/t23-,24-,27-,32+,33-,34+/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	3.68E+3	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