BindingDB logo
myBDB logout

null

SMILES: O=C(OCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI Key: InChIKey=FEAARQGFEATDIE-IHMFKRJZSA-N

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 = 50113079   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Peptidyl-prolyl cis-trans isomerase FKBP1A


(Homo sapiens (Human))		BDBM50113079
PNG
((S)-1-(Adamantan-1-ylthiocarbamoyl)-pyrrolidine-2-...)
Show SMILES O=C(OCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:22:23:27:21.20.26,THB:22:21:27:23.28.24|
Show InChI InChI=1S/C24H32N2O2S/c27-22(28-10-8-17-5-2-1-3-6-17)21-7-4-9-26(21)23(29)25-24-14-18-11-19(15-24)13-20(12-18)16-24/h1-3,5-6,18-21H,4,7-16H2,(H,25,29)/t18-,19+,20-,21-,24?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
 4.70E+4n/an/an/an/an/an/an/an/a



Guilford Pharmaceuticals Inc.

Curated by ChEMBL


Assay Description
Inhibition of peptidyl-prolyl isomerase (PPIase, or rotamase) activity of FK506 binding protein 12

Bioorg Med Chem Lett 12: 1421-8 (2002)


BindingDB Entry DOI: 10.7270/Q279441H
More data for this
Ligand-Target Pair