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SMILES: O=C(OCCCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI Key: InChIKey=CWIXBHSVAUCWMP-WKMKYRINSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113068   
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))		BDBM50113068
PNG
((S)-1-(Adamantan-1-ylthiocarbamoyl)-pyrrolidine-2-...)
Show SMILES O=C(OCCCCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:24:25:29:23.22.28,THB:24:23:29:25.30.26|
Show InChI InChI=1S/C26H36N2O2S/c29-24(30-12-5-4-9-19-7-2-1-3-8-19)23-10-6-11-28(23)25(31)27-26-16-20-13-21(17-26)15-22(14-20)18-26/h1-3,7-8,20-23H,4-6,9-18H2,(H,27,31)/t20-,21+,22-,23-,26?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem

Similars
PubMed
 7.20E+3n/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