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BDBM50237157 CHEMBL4079366

SMILES: Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1

InChI Key: InChIKey=MOGBWTVHZMVZDJ-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50237157   
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


(Homo sapiens (Human))
BDBM50237157
PNG
(CHEMBL4079366)
Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1
Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 2.10E+4n/an/an/an/an/an/a



Dublin Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Kv1.4 (unknown origin) expressed in HEK293 cells by whole cell patch clamp Qpatch method


J Med Chem 60: 2245-2256 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (Human))
BDBM50237157
PNG
(CHEMBL4079366)
Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1
Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 1.30E+4n/an/an/an/an/an/a



Dublin Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of Kv1.1 (unknown origin) expressed in HEK293 cells by whole cell patch clamp Qpatch method


J Med Chem 60: 2245-2256 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 1/2 (Kv1.1/Kv1.2)


(Rattus norvegicus)
BDBM50237157
PNG
(CHEMBL4079366)
Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1
Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.40E+4n/an/an/an/an/an/a



Dublin Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Kv(1.1)3/Kv1.2 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method


J Med Chem 60: 2245-2256 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 1


(Rattus norvegicus)
BDBM50237157
PNG
(CHEMBL4079366)
Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1
Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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



Dublin Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Kv1.1 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method


J Med Chem 60: 2245-2256 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 1


(Rattus norvegicus)
BDBM50237157
PNG
(CHEMBL4079366)
Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1
Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 1.40E+4n/an/an/an/an/an/a



Dublin Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Kv(1.1)4 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method


J Med Chem 60: 2245-2256 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 1/2 (Kv1.1/Kv1.2)


(Rattus norvegicus)
BDBM50237157
PNG
(CHEMBL4079366)
Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1
Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 5.70E+4n/an/an/an/an/an/a



Dublin Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Kv(1.1)2/Kv(1.2)2 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method


J Med Chem 60: 2245-2256 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 2


(Rattus norvegicus)
BDBM50237157
PNG
(CHEMBL4079366)
Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1
Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37)
PDB

UniProtKB/SwissProt

GoogleScholar
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Dublin Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Kv1.2(4) expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method


J Med Chem 60: 2245-2256 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily A member 1/2 (Kv1.1/Kv1.2)


(Rattus norvegicus)
BDBM50237157
PNG
(CHEMBL4079366)
Show SMILES Cl.Cl.Cc1ccc(cc1)C(c1ccc([nH]1)C(=O)NCCN)(c1ccc([nH]1)C(=O)NCCN)c1ccc(C)cc1
Show InChI InChI=1S/C29H34N6O2/c1-19-3-7-21(8-4-19)29(22-9-5-20(2)6-10-22,25-13-11-23(34-25)27(36)32-17-15-30)26-14-12-24(35-26)28(37)33-18-16-31/h3-14,34-35H,15-18,30-31H2,1-2H3,(H,32,36)(H,33,37)
PDB
MMDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>1.00E+5n/an/an/an/an/an/a



Dublin Institute of Technology

Curated by ChEMBL


Assay Description
Inhibition of recombinant rat Kv1.1/Kv(1.2)3 expressed in HEK293 cells at -90 mV holding potential by whole cell patch clamp Qpatch method


J Med Chem 60: 2245-2256 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01262
BindingDB Entry DOI: 10.7270/Q29K4DHG
More data for this
Ligand-Target Pair