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SMILES: O=C(OCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2

InChI Key: InChIKey=GQOAXLMXIQQPNP-SDIBUPNGSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50113075   
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))		BDBM50113075
PNG
((S)-1-(Adamantan-1-ylthiocarbamoyl)-pyrrolidine-2-...)
Show SMILES O=C(OCc1ccccc1)[C@@H]1CCCN1C(=S)NC12C[C@H]3C[C@H](C[C@H](C3)C1)C2 |TLB:21:22:26:20.19.25,THB:21:20:26:22.27.23|
Show InChI InChI=1S/C23H30N2O2S/c26-21(27-15-16-5-2-1-3-6-16)20-7-4-8-25(20)22(28)24-23-12-17-9-18(13-23)11-19(10-17)14-23/h1-3,5-6,17-20H,4,7-15H2,(H,24,28)/t17-,18+,19-,20-,23?/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
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PC cid
PC sid
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Similars
PubMed
 1.80E+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