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Compile Data Set for Download or QSAR

Found 8 hits of kd data for polymerid = 4761   
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
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50614740
PNG
(CHEMBL5281778)
Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7|
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n/an/an/a 3.90n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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PC cid
PC sid
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Article
PubMed
n/an/an/a 5.30n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GPR35 expressed in CHO cells after 150 mins by liquid scintillation counting analysis


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
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Article
PubMed
n/an/an/a 5.70n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive binding affinity to human recombinant GPR35 expressed in CHO cells by scintillation counting analysis in presence of MgCl2


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
PDB

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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
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Article
PubMed
n/an/an/a 5.90n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Competitive binding affinity to human recombinant GPR35 expressed in CHO cells by scintillation counting analysis in presence of CaCl2


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50614739
PNG
(CHEMBL5289040)
Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7|
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UniProtKB/SwissProt

antibodypedia
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UniChem
n/an/an/a 7.40n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50614741
PNG
(CHEMBL5285029)
Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCCCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7|
PDB

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UniChem
n/an/an/a 8.30n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50614742
PNG
(CHEMBL5288015)
Show SMILES CC1=CC(C)=[N+]2C1=C(c1nc(C)cn1[B-]2(F)F)c1ccc(OCCn2cc(CCOCCOc3cc(nc4c(C)c5nc(cc(O)c5cc34)C(O)=O)C(O)=O)nn2)cc1 |c:4,t:1,7|
PDB

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UniProtKB/SwissProt

antibodypedia
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UniChem
n/an/an/a 18n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair
G-protein coupled receptor 35


(Homo sapiens (Human))
BDBM50436001
PNG
(CHEMBL2392174 | CHEMBL2425818)
Show SMILES COc1ccc(cc1)C(=O)Nc1cc(Br)cc2c1oc(cc2=O)C(O)=O
Show InChI InChI=1S/C18H12BrNO6/c1-25-11-4-2-9(3-5-11)17(22)20-13-7-10(19)6-12-14(21)8-15(18(23)24)26-16(12)13/h2-8H,1H3,(H,20,22)(H,23,24)
PDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/a 115n/an/an/an/an/a



University of Bonn

Curated by ChEMBL


Assay Description
Binding affinity to human recombinant GPR35 expressed in CHO cells by scintillation counting analysis in absence of MgCl2, NaCl, CaCl2


J Med Chem 56: 7084-99 (2013)

Checked by Author
Article DOI: 10.1021/jm4009373
BindingDB Entry DOI: 10.7270/Q2G16280
More data for this
Ligand-Target Pair