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Target
Sequence
Name
&
Ki
IC50
Kd
EC50
Rate constants
ΔG°
ΔH°
-TΔS°
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Ki
IC50
Kd
EC50
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Found
219
hits with Last Name = 'mistry' and Initial = 'j'
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 H1 receptor
(Homo sapiens (Human))
BDBM112780
(US8629135, SW-07)
Show SMILES
CN(C)CC\C=C1/c2ccccc2COc2ccccc12
Show InChI
InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
Purchase
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Similars
Article
PubMed
0.178
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606429
(CHEMBL5175488)
Show SMILES
C[C@@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |r,c:67,69,t:64|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
4
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606458
(CHEMBL5193095)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
89
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606458
(CHEMBL5193095)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
89
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606454
(CHEMBL5209546)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
95
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606454
(CHEMBL5209546)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
95
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606452
(CHEMBL5173453)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
95
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606452
(CHEMBL5173453)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
95
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606451
(CHEMBL5169902)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
110
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606451
(CHEMBL5169902)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
110
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606455
(CHEMBL5204985)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
126
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606455
(CHEMBL5204985)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
126
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606444
(CHEMBL5176319)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
151
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606444
(CHEMBL5176319)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
151
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606432
(CHEMBL5202570)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
158
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606449
(CHEMBL5188589)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
158
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606432
(CHEMBL5202570)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
158
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606449
(CHEMBL5188589)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
158
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606457
(CHEMBL5192678)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
174
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606457
(CHEMBL5192678)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
174
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606456
(CHEMBL5192305)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
186
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606456
(CHEMBL5192305)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
186
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606450
(CHEMBL5201087)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
309
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606450
(CHEMBL5201087)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](C(C)C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
309
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606453
(CHEMBL5206578)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
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PC sid
UniChem
Article
PubMed
339
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606453
(CHEMBL5206578)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
339
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606441
(CHEMBL5174142)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
372
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606441
(CHEMBL5174142)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
372
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606435
(CHEMBL5205682)
Show SMILES
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
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PC cid
PC sid
UniChem
Article
PubMed
407
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606435
(CHEMBL5205682)
Show SMILES
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CO)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Article
PubMed
407
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606443
(CHEMBL5182490)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
437
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606459
(CHEMBL5204037)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
437
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606459
(CHEMBL5204037)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
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PC cid
PC sid
UniChem
Article
PubMed
437
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606443
(CHEMBL5182490)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Article
PubMed
437
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606440
(CHEMBL5198008)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
501
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606440
(CHEMBL5198008)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)NCC(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
501
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606430
(CHEMBL5171289)
Show SMILES
C[C@H](NC(=O)CNC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
513
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606430
(CHEMBL5171289)
Show SMILES
C[C@H](NC(=O)CNC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
513
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606448
(CHEMBL5179725)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
550
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606448
(CHEMBL5179725)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CC(O)=O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
550
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606436
(CHEMBL5185247)
Show SMILES
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
562
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606436
(CHEMBL5185247)
Show SMILES
C[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CC(N)=O)NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
562
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606446
(CHEMBL5192441)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
692
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606446
(CHEMBL5192441)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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PC cid
PC sid
UniChem
Article
PubMed
692
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606442
(CHEMBL5185281)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
794
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606442
(CHEMBL5185281)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
794
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606445
(CHEMBL5201159)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
832
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606445
(CHEMBL5201159)
Show SMILES
CC(C)[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
832
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606431
(CHEMBL5179303)
Show SMILES
C[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
912
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
Histamine H1 receptor
(Homo sapiens (Human))
BDBM50606431
(CHEMBL5179303)
Show SMILES
C[C@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](Cc1ccccc1)C(N)=O |r|
Show InChI
PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
PC cid
PC sid
UniChem
Article
PubMed
912
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.2c00125
BindingDB Entry DOI:
10.7270/Q29W0KK1
More data for this
Ligand-Target Pair
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