new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 120 hits with Last Name = 'narayanan' and Initial = 'a'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103072
PNG
(1-Benzyl-2-piperazin-1-yl-1H-benzoimidazole | CHEM...)
Show SMILES C(c1ccccc1)n1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C18H20N4/c1-2-6-15(7-3-1)14-22-17-9-5-4-8-16(17)20-18(22)21-12-10-19-11-13-21/h1-9,19H,10-14H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
0.360n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103070
PNG
(1-(4-Methoxy-benzyl)-2-piperazin-1-yl-1H-benzoimid...)
Show SMILES COc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1
Show InChI InChI=1S/C19H22N4O/c1-24-16-8-6-15(7-9-16)14-23-18-5-3-2-4-17(18)21-19(23)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.420n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103076
PNG
(1-Naphthalen-2-ylmethyl-2-piperazin-1-yl-1H-benzoi...)
Show SMILES C(c1ccc2ccccc2c1)n1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C22H22N4/c1-2-6-19-15-17(9-10-18(19)5-1)16-26-21-8-4-3-7-20(21)24-22(26)25-13-11-23-12-14-25/h1-10,15,23H,11-14,16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.40n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103075
PNG
(1-(4-Methyl-benzyl)-2-piperazin-1-yl-1H-benzoimida...)
Show SMILES Cc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1
Show InChI InChI=1S/C19H22N4/c1-15-6-8-16(9-7-15)14-23-18-5-3-2-4-17(18)21-19(23)22-12-10-20-11-13-22/h2-9,20H,10-14H2,1H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
1.70n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103069
PNG
(1-(4-Fluoro-benzyl)-2-piperazin-1-yl-1H-benzoimida...)
Show SMILES Fc1ccc(Cn2c(nc3ccccc23)N2CCNCC2)cc1
Show InChI InChI=1S/C18H19FN4/c19-15-7-5-14(6-8-15)13-23-17-4-2-1-3-16(17)21-18(23)22-11-9-20-10-12-22/h1-8,20H,9-13H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
5.20n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103073
PNG
(1-Phenethyl-2-piperazin-1-yl-1H-benzoimidazole | C...)
Show SMILES C(Cn1c(nc2ccccc12)N1CCNCC1)c1ccccc1
Show InChI InChI=1S/C19H22N4/c1-2-6-16(7-3-1)10-13-23-18-9-5-4-8-17(18)21-19(23)22-14-11-20-12-15-22/h1-9,20H,10-15H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
7.40n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103071
PNG
(1-(3-Phenyl-propyl)-2-piperazin-1-yl-1H-benzoimida...)
Show SMILES C(Cc1ccccc1)Cn1c(nc2ccccc12)N1CCNCC1
Show InChI InChI=1S/C20H24N4/c1-2-7-17(8-3-1)9-6-14-24-19-11-5-4-10-18(19)22-20(24)23-15-12-21-13-16-23/h1-5,7-8,10-11,21H,6,9,12-16H2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
8n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 3A


(Homo sapiens (Human))
BDBM50103077
PNG
(2-Piperazin-1-yl-1H-benzoimidazole | CHEMBL292066)
Show SMILES C1CN(CCN1)c1nc2ccccc2[nH]1
Show InChI InChI=1S/C11H14N4/c1-2-4-10-9(3-1)13-11(14-10)15-7-5-12-6-8-15/h1-4,12H,5-8H2,(H,13,14)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
19n/an/an/an/an/an/an/an/a



The University of Louisiana at Monroe

Curated by ChEMBL


Assay Description
Binding affinity of the compound against human 5-hydroxytryptamine 3A receptor


Bioorg Med Chem Lett 11: 2133-6 (2001)


BindingDB Entry DOI: 10.7270/Q20G3JGG
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232534
PNG
(5-((2-fluorophenoxy)methyl)quinazoline-2,4-diamine...)
Show SMILES Nc1nc(N)c2c(COc3ccccc3F)cccc2n1
Show InChI InChI=1S/C15H13FN4O/c16-10-5-1-2-7-12(10)21-8-9-4-3-6-11-13(9)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232526
PNG
(5-((2,4-difluorophenoxy)methyl)quinazoline-2,4-dia...)
Show SMILES Nc1nc(N)c2c(COc3ccc(F)cc3F)cccc2n1
Show InChI InChI=1S/C15H12F2N4O/c16-9-4-5-12(10(17)6-9)22-7-8-2-1-3-11-13(8)14(18)21-15(19)20-11/h1-6H,7H2,(H4,18,19,20,21)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0200n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237216
PNG
(CHEMBL4080254)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4)CC3)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232538
PNG
(5-((1-(2-fluorobenzyl)piperidin-4-yl)methoxy)quina...)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4F)CC3)cccc2n1
Show InChI InChI=1S/C21H24FN5O/c22-16-5-2-1-4-15(16)12-27-10-8-14(9-11-27)13-28-18-7-3-6-17-19(18)20(23)26-21(24)25-17/h1-7,14H,8-13H2,(H4,23,24,25,26)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 0.0300n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237201
PNG
(CHEMBL4082618)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4c(F)cccc4Cl)CC3)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.0400n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232589
PNG
(5-((3-chlorophenoxy)methyl)quinazoline-2,4-diamine...)
Show SMILES Nc1nc(N)c2c(COc3cccc(Cl)c3)cccc2n1
Show InChI InChI=1S/C15H13ClN4O/c16-10-4-2-5-11(7-10)21-8-9-3-1-6-12-13(9)14(17)20-15(18)19-12/h1-7H,8H2,(H4,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0500n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237200
PNG
(CHEMBL4072132)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4c(Cl)cccc4Cl)CC3)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.0690n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36530
PNG
(D157493)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4cccc(Cl)c4Cl)CC3)cccc2n1
Show InChI InChI=1S/C21H23Cl2N5O/c22-15-4-1-3-14(19(15)23)11-28-9-7-13(8-10-28)12-29-17-6-2-5-16-18(17)20(24)27-21(25)26-16/h1-6,13H,7-12H2,(H4,24,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
DrugBank
MMDB
PC cid
PC sid
PDB
UniChem
DrugBank
MMDB
PDB
Article
PubMed
n/an/a 0.0800n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT3 receptor in rat was evaluated


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237203
PNG
(CHEMBL250072)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4Cl)CC3)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237199
PNG
(CHEMBL4077061)
Show SMILES Nc1nc(N)c2c(COc3cc(F)cc(c3)C#N)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.110n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237205
PNG
(CHEMBL398675)
Show SMILES Nc1nc(N)c2c(OCc3cc(F)cc(F)c3)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.190n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237209
PNG
(CHEMBL4062544)
Show SMILES Nc1nc(N)c2c(COc3cccc(F)c3)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237211
PNG
(CHEMBL4061457)
Show SMILES Cc1ncccc1OCc1cccc2nc(N)nc(N)c12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.270n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237210
PNG
(CHEMBL399673)
Show SMILES Nc1nc(N)c2c(COc3ccccc3Cl)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.290n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM36534
PNG
(D156095)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccc(Cl)c(Cl)c4)CC3)cccc2n1
Show InChI InChI=1S/C21H23Cl2N5O/c22-15-5-4-14(10-16(15)23)11-28-8-6-13(7-9-28)12-29-18-3-1-2-17-19(18)20(24)27-21(25)26-17/h1-5,10,13H,6-9,11-12H2,(H4,24,25,26,27)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 0.320n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237217
PNG
(CHEMBL342595)
Show SMILES Nc1nc(N)c2c(OCc3ccccc3)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards rat 5-hydroxytryptamine 3 receptor was evaluated


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237202
PNG
(CHEMBL4103454)
Show SMILES Nc1nc(N)c2c(OCC3CCN(Cc4ccccc4OC(F)(F)F)CC3)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 1.40n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237198
PNG
(CHEMBL4068466)
Show SMILES Nc1nc(N)c2c(OCC3CCOCC3)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 1.80n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237218
PNG
(CHEMBL4072481)
Show SMILES Nc1nc(N)c2c(COC3CCOCC3)cccc2n1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.30n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50232566
PNG
(5-(3-chlorobenzyloxy)quinazoline-2,4-diamine | CHE...)
Show SMILES Nc1nc(N)c2c(OCc3cccc(Cl)c3)cccc2n1
Show InChI InChI=1S/C15H13ClN4O/c16-10-4-1-3-9(7-10)8-21-12-6-2-5-11-13(12)14(17)20-15(18)19-11/h1-7H,8H2,(H4,17,18,19,20)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237204
PNG
(CHEMBL343543)
Show SMILES COc1cccc2nc(N)nc(N)c12
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.90n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237206
PNG
(CHEMBL4075292)
Show SMILES CC1(COc2cccc3nc(N)nc(N)c23)COC1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 11n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
In vitro reversal of vecuronium-induced block in isolated guinea pig hemi-diaphragm.


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237212
PNG
(CHEMBL4100442)
Show SMILES Cc1cc(OCC2CCN(Cc3ccccc3F)CC2)c2c(N)nc(N)nc2c1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 12n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237214
PNG
(CHEMBL4084161)
Show SMILES COC[C@H](C)Oc1cccc2nc(N)nc(N)c12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Binding affinity towards 5-HT3 receptor in rat was evaluated


J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Scavenger mRNA-decapping enzyme (DcpS)


(Homo sapiens (Human))
BDBM50237208
PNG
(CHEMBL4090641)
Show SMILES COC[C@@H](C)Oc1cccc2nc(N)nc(N)c12 |r|
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 16n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL




J Med Chem 60: 3094-3108 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00124
BindingDB Entry DOI: 10.7270/Q2251MG2
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398093
PNG
(CHEMBL2182046 | US9321738, 6)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C29H25F3N4O4/c1-17(21-4-3-5-23(16-21)29(30,31)32)40-27(39)33-25-24(34-35-36(25)2)20-8-6-18(7-9-20)19-10-12-22(13-11-19)28(14-15-28)26(37)38/h3-13,16-17H,14-15H2,1-2H3,(H,33,39)(H,37,38)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398095
PNG
(CHEMBL2182043 | US9321738, 2)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H26N4O4/c1-18(19-6-4-3-5-7-19)36-27(35)29-25-24(30-31-32(25)2)22-10-8-20(9-11-22)21-12-14-23(15-13-21)28(16-17-28)26(33)34/h3-15,18H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398094
PNG
(CHEMBL2182044 | US9321738, 11)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1F)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H25FN4O4/c1-17(18-6-4-3-5-7-18)37-27(36)30-25-24(31-32-33(25)2)22-13-10-20(16-23(22)29)19-8-11-21(12-9-19)28(14-15-28)26(34)35/h3-13,16-17H,14-15H2,1-2H3,(H,30,36)(H,34,35)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 18n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398091
PNG
(CHEMBL2182049 | US9321738, 12)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H29N5O5S/c1-19(20-7-5-4-6-8-20)39-28(36)30-26-25(31-33-34(26)2)23-11-9-21(10-12-23)22-13-15-24(16-14-22)29(17-18-29)27(35)32-40(3,37)38/h4-16,19H,17-18H2,1-3H3,(H,30,36)(H,32,35)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 19n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398095
PNG
(CHEMBL2182043 | US9321738, 2)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H26N4O4/c1-18(19-6-4-3-5-7-19)36-27(35)29-25-24(30-31-32(25)2)22-10-8-20(9-11-22)21-12-14-23(15-13-21)28(16-17-28)26(33)34/h3-15,18H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 in human lung fibroblasts assessed as inhibition of LPA-induced contraction after 18 hrs by 3D collagen gel contraction a...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398094
PNG
(CHEMBL2182044 | US9321738, 11)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1F)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H25FN4O4/c1-17(18-6-4-3-5-7-18)37-27(36)30-25-24(31-32-33(25)2)22-13-10-20(16-23(22)29)19-8-11-21(12-9-19)28(14-15-28)26(34)35/h3-13,16-17H,14-15H2,1-2H3,(H,30,36)(H,34,35)/t17-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 in human lung fibroblasts assessed as inhibition of LPA-induced contraction after 18 hrs by 3D collagen gel contraction a...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398101
PNG
(CHEMBL2182063)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H27N3O4/c1-19(20-6-4-3-5-7-20)36-28(35)31-26-25(18-30-32(26)2)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(33)34/h3-15,18-19H,16-17H2,1-2H3,(H,31,35)(H,33,34)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 20n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at LPA1 in human lung fibroblasts assessed as inhibition of LPA-induced contraction after 18 hrs by 3D collagen gel contraction a...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398101
PNG
(CHEMBL2182063)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H27N3O4/c1-19(20-6-4-3-5-7-20)36-28(35)31-26-25(18-30-32(26)2)23-10-8-21(9-11-23)22-12-14-24(15-13-22)29(16-17-29)27(33)34/h3-15,18-19H,16-17H2,1-2H3,(H,31,35)(H,33,34)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 21n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398115
PNG
(CHEMBL2182038)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)c1nnn[nH]1)c1ccccc1 |r|
Show InChI InChI=1S/C28H26N8O2/c1-18-25(29-27(37)38-19(2)20-6-4-3-5-7-20)36(35-30-18)24-14-10-22(11-15-24)21-8-12-23(13-9-21)28(16-17-28)26-31-33-34-32-26/h3-15,19H,16-17H2,1-2H3,(H,29,37)(H,31,32,33,34)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 23n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398090
PNG
(CHEMBL2182050 | US9321738, 13)
Show SMILES C[C@@H](OC(=O)Nc1c(nnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1cccc(c1)C(F)(F)F |r|
Show InChI InChI=1S/C30H28F3N5O5S/c1-18(22-5-4-6-24(17-22)30(31,32)33)43-28(40)34-26-25(35-37-38(26)2)21-9-7-19(8-10-21)20-11-13-23(14-12-20)29(15-16-29)27(39)36-44(3,41)42/h4-14,17-18H,15-16H2,1-3H3,(H,34,40)(H,36,39)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398100
PNG
(CHEMBL2182064)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1F |r|
Show InChI InChI=1S/C29H26FN3O4/c1-18(23-5-3-4-6-25(23)30)37-28(36)32-26-24(17-31-33(26)2)21-9-7-19(8-10-21)20-11-13-22(14-12-20)29(15-16-29)27(34)35/h3-14,17-18H,15-16H2,1-2H3,(H,32,36)(H,34,35)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 24n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398123
PNG
(CHEMBL2182029)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C28H26N4O4/c1-18-25(29-27(35)36-19(2)20-6-4-3-5-7-20)32(31-30-18)24-14-10-22(11-15-24)21-8-12-23(13-9-21)28(16-17-28)26(33)34/h3-15,19H,16-17H2,1-2H3,(H,29,35)(H,33,34)/t19-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398116
PNG
(CHEMBL2182037)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(=O)NS(C)(=O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C29H29N5O5S/c1-19-26(30-28(36)39-20(2)21-7-5-4-6-8-21)34(33-31-19)25-15-11-23(12-16-25)22-9-13-24(14-10-22)29(17-18-29)27(35)32-40(3,37)38/h4-16,20H,17-18H2,1-3H3,(H,30,36)(H,32,35)/t20-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398122
PNG
(CHEMBL2182030)
Show SMILES C[C@@H](OC(=O)Nc1c(C)nnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1F |r|
Show InChI InChI=1S/C28H25FN4O4/c1-17-25(30-27(36)37-18(2)23-5-3-4-6-24(23)29)33(32-31-17)22-13-9-20(10-14-22)19-7-11-21(12-8-19)28(15-16-28)26(34)35/h3-14,18H,15-16H2,1-2H3,(H,30,36)(H,34,35)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398103
PNG
(CHEMBL2182061)
Show SMILES C[C@@H](OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(CC(O)=O)cc1)c1ccccc1 |r|
Show InChI InChI=1S/C27H25N3O4/c1-18(20-6-4-3-5-7-20)34-27(33)29-26-24(17-28-30(26)2)23-14-12-22(13-15-23)21-10-8-19(9-11-21)16-25(31)32/h3-15,17-18H,16H2,1-2H3,(H,29,33)(H,31,32)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 35n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398113
PNG
(CHEMBL2182040)
Show SMILES C[C@@H](OC(=O)Nc1cnnn1-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O)c1ccccc1 |r|
Show InChI InChI=1S/C27H24N4O4/c1-18(19-5-3-2-4-6-19)35-26(34)29-24-17-28-30-31(24)23-13-9-21(10-14-23)20-7-11-22(12-8-20)27(15-16-27)25(32)33/h2-14,17-18H,15-16H2,1H3,(H,29,34)(H,32,33)/t18-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 36n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Lysophosphatidic acid receptor 1


(Homo sapiens (Human))
BDBM50398126
PNG
(CHEMBL2182024)
Show SMILES CC[C@@H](C)OC(=O)Nc1c(cnn1C)-c1ccc(cc1)-c1ccc(cc1)C1(CC1)C(O)=O |r|
Show InChI InChI=1S/C25H27N3O4/c1-4-16(2)32-24(31)27-22-21(15-26-28(22)3)19-7-5-17(6-8-19)18-9-11-20(12-10-18)25(13-14-25)23(29)30/h5-12,15-16H,4,13-14H2,1-3H3,(H,27,31)(H,29,30)/t16-/m1/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 38n/an/an/an/an/an/a



Hoffmann-La Roche

Curated by ChEMBL


Assay Description
Antagonist activity at human recombinant LPA1 expressed in chem-1 cells assessed as inhibition of LPA-induced intracellular calcium mobilization incu...


J Med Chem 55: 7920-39 (2012)


Article DOI: 10.1021/jm301022v
BindingDB Entry DOI: 10.7270/Q26974Q9
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 120 total )  |  Next  |  Last  >>
Jump to: