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5 similar compounds to monomer 26806

Compile data set for download or QSAR
Wt: 436.5
BDBM26803
Wt: 454.4
BDBM26804
Wt: 458.4
BDBM26805
Wt: 448.3
BDBM26807
Wt: 463.4
BDBM50355459

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 26803,26804,26805,26807,50355459   
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
ADAM17


(Sus scrofa (pig))
BDBM26803
PNG
((3R,4R)-3-N-hydroxy-4-N-(4-{[2-(propan-2-yl)-1H-1,...)
Show SMILES CC(C)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO
Show InChI InChI=1S/C24H28N4O4/c1-15(2)22-25-20-5-3-4-6-21(20)28(22)13-16-7-9-17(10-8-16)23(29)26-19-11-12-32-14-18(19)24(30)27-31/h3-10,15,18-19,31H,11-14H2,1-2H3,(H,26,29)(H,27,30)/t18-,19+/m0/s1
PDB
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GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.60n/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM26804
PNG
((3R,4R)-4-N-(4-{[2-(2-fluoropropan-2-yl)-1H-1,3-be...)
Show SMILES CC(C)(F)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO
Show InChI InChI=1S/C24H27FN4O4/c1-24(2,25)23-27-19-5-3-4-6-20(19)29(23)13-15-7-9-16(10-8-15)21(30)26-18-11-12-33-14-17(18)22(31)28-32/h3-10,17-18,32H,11-14H2,1-2H3,(H,26,30)(H,28,31)/t17-,18+/m0/s1
PDB
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UniProtKB/SwissProt

B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.20n/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair
ADAM17


(Homo sapiens (Human))
BDBM50355459
PNG
(CHEMBL1835556)
Show SMILES ONC(=O)[C@H]1COCC[C@H]1NC(=O)c1ccc(Cn2c(nc3ccccc23)C(F)(F)F)nc1
Show InChI InChI=1S/C21H20F3N5O4/c22-21(23,24)20-27-16-3-1-2-4-17(16)29(20)10-13-6-5-12(9-25-13)18(30)26-15-7-8-33-11-14(15)19(31)28-32/h1-6,9,14-15,32H,7-8,10-11H2,(H,26,30)(H,28,31)/t14-,15+/m0/s1
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KEGG

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PC cid
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UniChem

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Article
PubMed
n/an/a 160n/an/an/an/an/an/a



Sun Pharma Advanced Research Company Ltd

Curated by ChEMBL


Assay Description
Inhibition of TACE in human whole blood assessed as reduction of of LPS-induced TNFalpha production pretreated 15 mins before LPS challenge measured ...


Eur J Med Chem 46: 5549-55 (2011)


Article DOI: 10.1016/j.ejmech.2011.09.018
BindingDB Entry DOI: 10.7270/Q2JQ11FF
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM26807
PNG
((3R,4S)-3-N-hydroxy-4-N-(4-{[2-(trifluoromethyl)-1...)
Show SMILES ONC(=O)[C@H]1COC[C@H]1NC(=O)c1ccc(Cn2c(nc3ccccc23)C(F)(F)F)cc1
Show InChI InChI=1S/C21H19F3N4O4/c22-21(23,24)20-26-15-3-1-2-4-17(15)28(20)9-12-5-7-13(8-6-12)18(29)25-16-11-32-10-14(16)19(30)27-31/h1-8,14,16,31H,9-11H2,(H,25,29)(H,27,30)/t14-,16+/m0/s1
PDB
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B.MOAD
GoogleScholar
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PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair
ADAM17


(Sus scrofa (pig))
BDBM26805
PNG
((3R,4R)-4-N-(4-{[2-(1,1-difluoroethyl)-1H-1,3-benz...)
Show SMILES CC(F)(F)c1nc2ccccc2n1Cc1ccc(cc1)C(=O)N[C@@H]1CCOC[C@@H]1C(=O)NO
Show InChI InChI=1S/C23H24F2N4O4/c1-23(24,25)22-27-18-4-2-3-5-19(18)29(22)12-14-6-8-15(9-7-14)20(30)26-17-10-11-33-13-16(17)21(31)28-32/h2-9,16-17,32H,10-13H2,1H3,(H,26,30)(H,28,31)/t16-,17+/m0/s1
PDB
MMDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.60n/an/an/an/a7.525



Bristol-Myers Squibb Company



Assay Description
The compounds were tested for enzyme inhibition using fluorescence resonance energy transfer (FRET) assay. Fluorescence measurements were performed i...


Bioorg Med Chem Lett 18: 1577-82 (2008)


Article DOI: 10.1016/j.bmcl.2008.01.075
BindingDB Entry DOI: 10.7270/Q2GM85NS
More data for this
Ligand-Target Pair