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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
Substrate or Competitor
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/
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PubMed code
34652145
Compile data set for download or QSAR
Found
3
hits of Enzyme Inhibition Constant Data
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
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human))
BDBM50587271
(CHEMBL5075403)
Show SMILES
CN1C(=O)CCC(N2C(=O)c3cccc(N4CCN(CC4)C(=O)C4CCN(CC4)c4ccc(NC(=O)c5cnc(Oc6ccccc6)nc5)cc4)c3C2=O)C1=O
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
140
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of H-PGDS (unknown origin) using fluorescent probe by competition binding assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01206
BindingDB Entry DOI:
10.7270/Q2T157KT
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human))
BDBM50463722
(CHEMBL4238186)
Show SMILES
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCOCC1)c1cnc(Oc2ccccc2)nc1
Show InChI
InChI=1S/C27H29N5O4/c33-25(21-18-28-27(29-19-21)36-24-4-2-1-3-5-24)30-22-6-8-23(9-7-22)31-12-10-20(11-13-31)26(34)32-14-16-35-17-15-32/h1-9,18-20H,10-17H2,(H,30,33)
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
170
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of H-PGDS (unknown origin) using fluorescent probe by competition binding assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01206
BindingDB Entry DOI:
10.7270/Q2T157KT
More data for this
Ligand-Target Pair
Hematopoietic prostaglandin D synthase
(Homo sapiens (Human))
BDBM50587270
(CHEMBL5076100)
Show SMILES
O=C(Nc1ccc(cc1)N1CCC(CC1)C(=O)N1CCN(CC1)c1cccc2C(=O)N(C3CCC(=O)NC3=O)C(=O)c12)c1cnc(Oc2ccccc2)nc1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
PC cid
PC sid
UniChem
Article
PubMed
n/a
n/a
170
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Inhibition of H-PGDS (unknown origin) using fluorescent probe by competition binding assay
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c01206
BindingDB Entry DOI:
10.7270/Q2T157KT
More data for this
Ligand-Target Pair
*
indicates data uncertainty>20%
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