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Compile Data Set for Download or QSAR

Found 6 hits with Last Name = 'servy' and Initial = 'c'   
Target/Host
(Institution)
LigandTarget/Host
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
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM7886
PNG
(1-PIM | 1-phenyl-1H-imidazole | 1-phenylimidazole ...)
Show SMILES c1cn(cn1)-c1ccccc1
Show InChI InChI=1S/C9H8N2/c1-2-4-9(5-3-1)11-7-6-10-8-11/h1-8H
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n/an/a 8.00E+3n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of inducible Nitric oxide synthase in activated murine macrophages.


Bioorg Med Chem Lett 5: 1825-1828 (1995)


Article DOI: 10.1016/0960-894X(95)00317-M
BindingDB Entry DOI: 10.7270/Q2057FVK
More data for this
Ligand-Target Pair
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50284964
PNG
(6-NITROINDAZOLE | 6-Nitro-1H-indazole | CHEMBL5427...)
Show SMILES [O-][N+](=O)c1ccc2cn[nH]c2c1
Show InChI InChI=1S/C7H5N3O2/c11-10(12)6-2-1-5-4-8-9-7(5)3-6/h1-4H,(H,8,9)
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Article
n/an/a 2.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of inducible Nitric oxide synthase in activated murine macrophages.


Bioorg Med Chem Lett 5: 1825-1828 (1995)


Article DOI: 10.1016/0960-894X(95)00317-M
BindingDB Entry DOI: 10.7270/Q2057FVK
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Nitric oxide synthase, inducible


(Mus musculus (mouse))
BDBM50284963
PNG
(8,9-Dihydro-3H-naphtho[1,2-e][1,2,4]triazin-2-one ...)
Show SMILES O=c1nnc2ccc3=CCCC=c3c2[nH]1 |c:11,t:7|
Show InChI InChI=1S/C11H9N3O/c15-11-12-10-8-4-2-1-3-7(8)5-6-9(10)13-14-11/h3-6H,1-2H2,(H,12,14,15)
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n/an/a 5.00E+4n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Compound was tested for inhibition of inducible Nitric oxide synthase in activated murine macrophages.


Bioorg Med Chem Lett 5: 1825-1828 (1995)


Article DOI: 10.1016/0960-894X(95)00317-M
BindingDB Entry DOI: 10.7270/Q2057FVK
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50321033
PNG
(CHEMBL1165508 | ent-17-Hydroxytrachyloban-18-oic a...)
Show SMILES C[C@]12CCC[C@](C)([C@@H]1CC[C@]13C[C@@H]4[C@H](C[C@@H]21)[C@]4(CO)C3)C(O)=O |r|
Show InChI InChI=1S/C20H30O3/c1-17-5-3-6-18(2,16(22)23)14(17)4-7-19-9-13-12(8-15(17)19)20(13,10-19)11-21/h12-15,21H,3-11H2,1-2H3,(H,22,23)/t12-,13+,14+,15-,17-,18+,19+,20+/m0/s1
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n/an/a 2.20E+5n/an/an/an/an/an/a



Centre de Recherche de Gif

Curated by ChEMBL


Assay Description
Displacement of fluorescently-tagged BH3 peptide from Bcl-XL by fluorimetric assay


J Nat Prod 73: 1121-5 (2010)


Article DOI: 10.1021/np100145n
BindingDB Entry DOI: 10.7270/Q2CJ8DN2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50321034
PNG
(CHEMBL1165054 | ent-16alpha-Hydroxykaur-11-en-18-o...)
Show SMILES C[C@]1(O)C[C@@]23C[C@H]1C=C[C@@H]2[C@@]1(C)CCC[C@](C)([C@@H]1CC3)C(O)=O |r,c:8|
Show InChI InChI=1S/C20H30O3/c1-17-8-4-9-18(2,16(21)22)14(17)7-10-20-11-13(5-6-15(17)20)19(3,23)12-20/h5-6,13-15,23H,4,7-12H2,1-3H3,(H,21,22)/t13?,14-,15-,17+,18-,19+,20-/m1/s1
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n/an/a 3.80E+5n/an/an/an/an/an/a



Centre de Recherche de Gif

Curated by ChEMBL


Assay Description
Displacement of fluorescently-tagged BH3 peptide from Bcl-XL by fluorimetric assay


J Nat Prod 73: 1121-5 (2010)


Article DOI: 10.1021/np100145n
BindingDB Entry DOI: 10.7270/Q2CJ8DN2
More data for this
Ligand-Target Pair
Bcl-2-like protein 1


(Homo sapiens (Human))
BDBM50321035
PNG
(CHEMBL1164460 | ent-Trachyloban-18-oic acid)
Show SMILES C[C@@]12C[C@@]34C[C@@H]1[C@@H]2C[C@H]3[C@@]1(C)CCC[C@](C)([C@@H]1CC4)C(O)=O |r|
Show InChI InChI=1S/C20H30O2/c1-17-6-4-7-18(2,16(21)22)14(17)5-8-20-10-13-12(9-15(17)20)19(13,3)11-20/h12-15H,4-11H2,1-3H3,(H,21,22)/t12-,13+,14+,15-,17-,18+,19-,20+/m0/s1
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PC cid
PC sid
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Article
PubMed
n/an/a 4.00E+5n/an/an/an/an/an/a



Centre de Recherche de Gif

Curated by ChEMBL


Assay Description
Displacement of fluorescently-tagged BH3 peptide from Bcl-XL by fluorimetric assay


J Nat Prod 73: 1121-5 (2010)


Article DOI: 10.1021/np100145n
BindingDB Entry DOI: 10.7270/Q2CJ8DN2
More data for this
Ligand-Target Pair