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BDBM50236605 CHEMBL4071782

SMILES: Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCOC[C@]2(C)C(=O)NO)c2ccccc2n1

InChI Key: InChIKey=AKDFMUYQSXECQD-VWNXMTODSA-N

Data: 4 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 4 hits for monomerid = 50236605   
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
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50236605
PNG
(CHEMBL4071782)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCOC[C@]2(C)C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C24H27N3O6S/c1-16-13-17(20-5-3-4-6-21(20)25-16)14-33-18-7-9-19(10-8-18)34(30,31)27-22-11-12-32-15-24(22,2)23(28)26-29/h3-10,13,22,27,29H,11-12,14-15H2,1-2H3,(H,26,28)/t22-,24+/m1/s1
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PC sid
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Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
In vitro displacement of [3H]- SCH 23390 from the dopamine receptor D1 of bovine striatal membrane


Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236605
PNG
(CHEMBL4071782)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCOC[C@]2(C)C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C24H27N3O6S/c1-16-13-17(20-5-3-4-6-21(20)25-16)14-33-18-7-9-19(10-8-18)34(30,31)27-22-11-12-32-15-24(22,2)23(28)26-29/h3-10,13,22,27,29H,11-12,14-15H2,1-2H3,(H,26,28)/t22-,24+/m1/s1
PDB

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GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.59E+3n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Homo sapiens (Human))
BDBM50236605
PNG
(CHEMBL4071782)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCOC[C@]2(C)C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C24H27N3O6S/c1-16-13-17(20-5-3-4-6-21(20)25-16)14-33-18-7-9-19(10-8-18)34(30,31)27-22-11-12-32-15-24(22,2)23(28)26-29/h3-10,13,22,27,29H,11-12,14-15H2,1-2H3,(H,26,28)/t22-,24+/m1/s1
PDB
MMDB

Reactome pathway
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 0.501n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibitory activity against recombinant mammalian protein Farnesyltransferase expressed in baculovirus


Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17


(Mus musculus (Mouse))
BDBM50236605
PNG
(CHEMBL4071782)
Show SMILES Cc1cc(COc2ccc(cc2)S(=O)(=O)N[C@@H]2CCOC[C@]2(C)C(=O)NO)c2ccccc2n1 |r|
Show InChI InChI=1S/C24H27N3O6S/c1-16-13-17(20-5-3-4-6-21(20)25-16)14-33-18-7-9-19(10-8-18)34(30,31)27-22-11-12-32-15-24(22,2)23(28)26-29/h3-10,13,22,27,29H,11-12,14-15H2,1-2H3,(H,26,28)/t22-,24+/m1/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.67E+3n/an/an/an/an/an/a



Nestl� Skin Health R&D

Curated by ChEMBL


Assay Description
Inhibition of TACE in mouse RAW264.7 cells assessed as inhibition of LPS-stimulated TNFalpha production pretreated for 1 hr followed by LPS stimulati...


Bioorg Med Chem Lett 27: 1848-1853 (2017)


Article DOI: 10.1016/j.bmcl.2017.02.035
BindingDB Entry DOI: 10.7270/Q28S4S59
More data for this
Ligand-Target Pair