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BDBM50045830 CHEMBL3314362

SMILES: CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C

InChI Key: InChIKey=CKRWGBKIBACFNV-UHFFFAOYSA-N

Data: 7 IC50

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 7 hits for monomerid = 50045830   
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
Voltage-gated potassium channel beta subunit Mink


(Homo sapiens (Human))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human cardiac slowly activating delayed rectifier K+ channel expressed in CHO cells by electrophysiology assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
More data for this
Ligand-Target Pair
Sodium channel protein type 5 subunit alpha


(Homo sapiens (Human))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
PDB

KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a>3.30E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human Nav1.5 expressed in CHO cells by electrophysiology assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

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

Patents

Article
PubMed
n/an/a 1.29E+4n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG expressed in CHO cells by electrophysiology assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 46n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 40n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [125I]QRFP43 from human GPR103 receptor expressed in HEK cells after 90 mins incubation by scintillation counting


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
More data for this
Ligand-Target Pair
GPR103


(Homo sapiens (Human))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 880n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human GPR103 receptor expressed in CHOK1 cells by IP-1 assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
More data for this
Ligand-Target Pair
Cytochrome P450 2D6 (2D6)


(Homo sapiens (Human))
BDBM50045830
PNG
(CHEMBL3314362)
Show SMILES CN(C)Cc1cc2CCN(Cc2cc1C)C(=O)c1cc2cc(Cl)ccc2n1C
Show InChI InChI=1S/C23H26ClN3O/c1-15-9-19-14-27(8-7-16(19)10-18(15)13-25(2)3)23(28)22-12-17-11-20(24)5-6-21(17)26(22)4/h5-6,9-12H,7-8,13-14H2,1-4H3
UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

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



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human CYP2D6 after 20 to 50 mins by high-throughput fluorescence assay


J Med Chem 57: 5935-48 (2014)


Article DOI: 10.1021/jm401951t
More data for this
Ligand-Target Pair