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Target
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Compile Data Set for Download or QSAR
Found
6
hits Enz. Inhib. hit(s) with Target = 'Histamine H2 receptor' and Ligand = 'BDBM50601556'
Target/Host
(Institution)
Ligand
Target/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
k
off
s
-1
k
on
M
-1
s
-1
pH
Temp
°C
Histamine H2 receptor
(Homo sapiens (Human))
BDBM50601556
(CHEMBL5200771)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
5.10
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig))
BDBM50601556
(CHEMBL5200771)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
4.80
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H2 receptor
(Homo sapiens (Human))
BDBM50601556
(CHEMBL5200771)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
6
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H2 receptor
(Cavia porcellus (domestic guinea pig))
BDBM50601556
(CHEMBL5200771)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
Show InChI
PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
2.30
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H2 receptor
(Homo sapiens (Human))
BDBM50601556
(CHEMBL5200771)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
12
n/a
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
Histamine H2 receptor
(Homo sapiens (Human))
BDBM50601556
(CHEMBL5200771)
Show SMILES
OC(=O)C(F)(F)F.OC(=O)C(F)(F)F.CCCCCCNC(=O)\N=C(/N)NCCCc1nnc(N)s1
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
n/a
n/a
1.07E+3
n/a
n/a
n/a
n/a
TBA
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00692
BindingDB Entry DOI:
10.7270/Q2MP57CT
More data for this
Ligand-Target Pair
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