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Compile Data Set for Download or QSAR

Found 8 hits Enz. Inhib. hit(s) with Target = 'ADAM17' AND taxid = 10116   
Target
(Institution)
LigandTarget
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
ADAM17


(Rattus norvegicus)
BDBM50168758
PNG
((2R,3S)-3-Ethyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)
Show SMILES CC[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H25FN2O6S/c1-2-21(26)12-3-13-24(19(21)20(25)23-27)31(28,29)18-10-8-17(9-11-18)30-14-15-4-6-16(22)7-5-15/h4-11,19,26-27H,2-3,12-14H2,1H3,(H,23,25)/t19-,21-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


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AffyNet 
Article
PubMed
n/an/a 1.70n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Citation and Details
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168743
PNG
((2R,3R)-1-[4-(3-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1c(F)cccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-15(5-3-6-18(14)22)13-30-16-7-9-17(10-8-16)31(28,29)24-12-4-11-21(2,26)19(24)20(25)23-27/h3,5-10,19,26-27H,4,11-13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 10n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Citation and Details
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168755
PNG
((2R,3S)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Citation and Details
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168748
PNG
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Citation and Details
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168748
PNG
((2R,3R)-1-[4-(4-Fluoro-benzyloxy)-benzenesulfonyl]...)
Show SMILES C[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C20H23FN2O6S/c1-20(25)11-2-12-23(18(20)19(24)22-26)30(27,28)17-9-7-16(8-10-17)29-13-14-3-5-15(21)6-4-14/h3-10,18,25-26H,2,11-13H2,1H3,(H,22,24)/t18-,20+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Citation and Details
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168741
PNG
((2R,3R)-1-[4-(4-Fluoro-2-methyl-benzyloxy)-benzene...)
Show SMILES Cc1cc(F)ccc1COc1ccc(cc1)S(=O)(=O)N1CCC[C@@](C)(O)[C@@H]1C(=O)NO
Show InChI InChI=1S/C21H25FN2O6S/c1-14-12-16(22)5-4-15(14)13-30-17-6-8-18(9-7-17)31(28,29)24-11-3-10-21(2,26)19(24)20(25)23-27/h4-9,12,19,26-27H,3,10-11,13H2,1-2H3,(H,23,25)/t19-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Citation and Details
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168751
PNG
((2R,3R)-3-Ethyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)
Show SMILES CC[C@@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C21H25FN2O6S/c1-2-21(26)12-3-13-24(19(21)20(25)23-27)31(28,29)18-10-8-17(9-11-18)30-14-15-4-6-16(22)7-5-15/h4-11,19,26-27H,2-3,12-14H2,1H3,(H,23,25)/t19-,21+/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Citation and Details
More data for this
Ligand-Target Pair
ADAM17


(Rattus norvegicus)
BDBM50168740
PNG
((2R,3S)-3-Butyl-1-[4-(4-fluoro-benzyloxy)-benzenes...)
Show SMILES CCCC[C@]1(O)CCCN([C@H]1C(=O)NO)S(=O)(=O)c1ccc(OCc2ccc(F)cc2)cc1
Show InChI InChI=1S/C23H29FN2O6S/c1-2-3-13-23(28)14-4-15-26(21(23)22(27)25-29)33(30,31)20-11-9-19(10-12-20)32-16-17-5-7-18(24)8-6-17/h5-12,21,28-29H,2-4,13-16H2,1H3,(H,25,27)/t21-,23-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

AffyNet 
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Pfizer Global Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound against rat TACE


Citation and Details
More data for this
Ligand-Target Pair