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BDBM50134335 8-[N-(4-chlorophenylsulfonamido)-carbonyl amino]-8-azabicyclo[3.2.1]oct-3-yl 2-phenylacetate::CHEMBL333727

SMILES: Clc1ccc(cc1)S(=O)(=O)NC(=O)NN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1

InChI Key: InChIKey=JLAXGKPNMOZKMF-BWTSREIZSA-N

Data: 1 KI  1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50134335   
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
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50134335
PNG
(8-[N-(4-chlorophenylsulfonamido)-carbonyl amino]-8...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)NN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C22H24ClN3O5S/c23-16-6-10-20(11-7-16)32(29,30)25-22(28)24-26-17-8-9-18(26)14-19(13-17)31-21(27)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H2,24,25,28)/t17-,18+,19+
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CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
890n/an/an/an/an/an/an/an/a



Novartis Research Institute Vienna

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroid sulfatase expressed in CHO cells


Bioorg Med Chem Lett 13: 3673-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.019
BindingDB Entry DOI: 10.7270/Q27S7N5G
More data for this
Ligand-Target Pair
Steryl-sulfatase


(Homo sapiens (Human))
BDBM50134335
PNG
(8-[N-(4-chlorophenylsulfonamido)-carbonyl amino]-8...)
Show SMILES Clc1ccc(cc1)S(=O)(=O)NC(=O)NN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)Cc1ccccc1
Show InChI InChI=1S/C22H24ClN3O5S/c23-16-6-10-20(11-7-16)32(29,30)25-22(28)24-26-17-8-9-18(26)14-19(13-17)31-21(27)12-15-4-2-1-3-5-15/h1-7,10-11,17-19H,8-9,12-14H2,(H2,24,25,28)/t17-,18+,19+
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 3.84E+3n/an/an/an/an/an/a



Novartis Research Institute Vienna

Curated by ChEMBL


Assay Description
Inhibitory activity against Steroid sulfatase expressed in CHO cells


Bioorg Med Chem Lett 13: 3673-7 (2003)


Article DOI: 10.1016/j.bmcl.2003.08.019
BindingDB Entry DOI: 10.7270/Q27S7N5G
More data for this
Ligand-Target Pair