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BDBM50240277 CHEMBL4061793

SMILES:

InChI Key:

Data: 11 IC50  2 EC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 17 hits for monomerid = 50240277   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Sodium channel protein type 9 subunit alpha


(Mus musculus)
BDBM50240277
PNG
(CHEMBL4061793)
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
PDB
MMDB

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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a>2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL




Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
More data for this
Ligand-Target Pair
Alpha-2B adrenergic receptor


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a>3.00E+4n/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
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PubMed
n/an/a 3.80E+3n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Cytochrome P450 3A


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
PDB
MMDB

Reactome pathway
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UniProtKB/SwissProt

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UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
PDB
MMDB

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UniChem

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Article
PubMed
n/an/a>5.00E+4n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Cytochrome P450 2D6


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 3.20E+4n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Pregnane X receptor (PXR)


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/an/an/a 1.60E+4n/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Sodium channel alpha subunit


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 8n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Muscarinic acetylcholine receptor M1


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Alpha adrenergic receptor (1a and 1d)


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>3.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL




Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
More data for this
Ligand-Target Pair
Cytochrome P450 2C9


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
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>2.00E+4n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL




Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 2.20n/an/an/an/an/an/a



Bristol-Myers Squibb Research and Development, 5 Research Parkway, Wallingford, CT 06492-7660, USA. Electronic address: yong-jin.wu@bms.com.

Curated by ChEMBL




Bioorg Med Chem 25: 5490-5505 (2017)


Article DOI: 10.1016/j.bmc.2017.08.012
More data for this
Ligand-Target Pair
Adenosine receptor A1/Alpha-2A adrenergic receptor


(Homo sapiens (Human))
BDBM50240277
PNG
(CHEMBL4061793)
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 8.00E+3n/an/an/an/an/an/a



Department of Discovery Chemistry Merck& Co.

Curated by ChEMBL




Bioorg Med Chem Lett 27: 2087-2093 (2017)


Article DOI: 10.1016/j.bmcl.2017.03.085
BindingDB Entry DOI: 10.7270/Q29025XB
More data for this
Ligand-Target Pair