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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
pH (Enzymatic Assay)
pH (ITC)
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/
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Target Names &
Ki
IC50
Kd
EC50
ΔG°
ΔH°
-TΔS°
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Compile Data Set for Download or QSAR
Found
16
hits Enz. Inhib. hit(s) with all data for assayid = 8 entry = 50015080
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
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582603
(CHEMBL5091373)
Show SMILES
Cl.CNCCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
170
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582607
(CHEMBL5074190)
Show SMILES
COc1ccccc1-c1cc(CCN(C)C)ccc1Cl
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
250
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582600
(CHEMBL5094680)
Show SMILES
CCCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
280
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582610
(CHEMBL5077293)
Show SMILES
COc1ccccc1-c1cc(ccc1Cl)C1CCNC1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
340
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50204678
(CHEMBL3931889)
Show SMILES
COc1ccccc1-c1cc(CN(C)C)ccc1Cl
Show InChI
InChI=1S/C16H18ClNO/c1-18(2)11-12-8-9-15(17)14(10-12)13-6-4-5-7-16(13)19-3/h4-10H,11H2,1-3H3
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
360
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50204672
(CHEMBL3961059)
Show SMILES
CNCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
InChI=1S/C15H16ClNO/c1-17-10-11-7-8-14(16)13(9-11)12-5-3-4-6-15(12)18-2/h3-9,17H,10H2,1-2H3
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
CHEMBL
PC cid
PC sid
UniChem
Similars
Article
PubMed
380
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582604
(CHEMBL5094234)
Show SMILES
Cl.CCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
520
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582606
(CHEMBL5090884)
Show SMILES
Cl.CCCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
570
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582605
(CHEMBL5093342)
Show SMILES
Cl.CCCNCCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
600
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582599
(CHEMBL5081379)
Show SMILES
CCCNCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
670
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582608
(CHEMBL5084249)
Show SMILES
CCN(CC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
680
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582598
(CHEMBL5074880)
Show SMILES
CCNCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
910
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582609
(CHEMBL5094493)
Show SMILES
CCCN(CCC)CCc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582611
(CHEMBL5083607)
Show SMILES
COc1ccccc1-c1cc(ccc1Cl)C1CCN(C)C1
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
1.20E+3
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582602
(CHEMBL5082177)
Show SMILES
CCCN(CCC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human))
BDBM50582601
(CHEMBL5071978)
Show SMILES
CCN(CC)Cc1ccc(Cl)c(c1)-c1ccccc1OC
Show InChI
PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
>1.00E+4
n/a
n/a
n/a
n/a
n/a
n/a
n/a
n/a
TBA
Assay Description
Binding affinity to 5-HT2AR (unknown origin)
Citation and Details
Article DOI:
10.1021/acs.jmedchem.1c00110
BindingDB Entry DOI:
10.7270/Q2D50RTX
More data for this
Ligand-Target Pair
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