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BDBM50273009 CHEMBL4129809

SMILES: N[C@@H]1CCCN(C1)[C@@H]1Cc2ccccc2[C@H]1Oc1ccc(cc1Cl)C#N

InChI Key: InChIKey=RLKRLNQEXBPQGQ-OZOXKJRCSA-N

Data: 7 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 50273009   
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
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273009
PNG
(CHEMBL4129809)
Show SMILES N[C@@H]1CCCN(C1)[C@@H]1Cc2ccccc2[C@H]1Oc1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



Daiichi Sankyo Co., Ltd

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as decrease in intracellular calcium level after 24 hrs by Fluo-4 dye-based FLIPR assay


Bioorg Med Chem Lett 28: 2222-2227 (2018)


Article DOI: 10.1016/j.bmcl.2018.03.056
BindingDB Entry DOI: 10.7270/Q2CF9SMH
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Short transient receptor potential channel 7


(Homo sapiens)
BDBM50273009
PNG
(CHEMBL4129809)
Show SMILES N[C@@H]1CCCN(C1)[C@@H]1Cc2ccccc2[C@H]1Oc1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
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n/an/a 226n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human TRPC7 expressed in HEK293 cells assessed as reduction in OAG-induced calcium influx after 10 mins by fluo-4/AM dye based FLIPR as...


J Med Chem 62: 7589-7602 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01954
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273009
PNG
(CHEMBL4129809)
Show SMILES N[C@@H]1CCCN(C1)[C@@H]1Cc2ccccc2[C@H]1Oc1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
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n/an/a 7.90n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as reduction in TRPC6-induced current by Whole-cell patch-clamp


J Med Chem 62: 7589-7602 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01954
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Short transient receptor potential channel 3


(Homo sapiens (Human))
BDBM50273009
PNG
(CHEMBL4129809)
Show SMILES N[C@@H]1CCCN(C1)[C@@H]1Cc2ccccc2[C@H]1Oc1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
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n/an/a 282n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human TRPC3 expressed in CHO cells assessed as reduction in OAG-induced calcium influx after 10 mins by fluo-4/AM dye based FLIPR assay


J Med Chem 62: 7589-7602 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01954
More data for this
Ligand-Target Pair
Short transient receptor potential channel 6


(Homo sapiens (Human))
BDBM50273009
PNG
(CHEMBL4129809)
Show SMILES N[C@@H]1CCCN(C1)[C@@H]1Cc2ccccc2[C@H]1Oc1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
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n/an/a 9.5n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of human TRPC6 expressed in HEK293 cells assessed as reduction in OAG-induced calcium influx after 10 mins by fluo-4/AM dye based FLIPR as...


J Med Chem 62: 7589-7602 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01954
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Short transient receptor potential channel 5


(Mus musculus)
BDBM50273009
PNG
(CHEMBL4129809)
Show SMILES N[C@@H]1CCCN(C1)[C@@H]1Cc2ccccc2[C@H]1Oc1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
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MMDB

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UniProtKB/TrEMBL

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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of mouse TRPC5 by FLIPR assay


J Med Chem 62: 7589-7602 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01954
More data for this
Ligand-Target Pair
alternatively spliced Trp4


(Mus musculus)
BDBM50273009
PNG
(CHEMBL4129809)
Show SMILES N[C@@H]1CCCN(C1)[C@@H]1Cc2ccccc2[C@H]1Oc1ccc(cc1Cl)C#N |r|
Show InChI InChI=1S/C21H22ClN3O/c22-18-10-14(12-23)7-8-20(18)26-21-17-6-2-1-4-15(17)11-19(21)25-9-3-5-16(24)13-25/h1-2,4,6-8,10,16,19,21H,3,5,9,11,13,24H2/t16-,19-,21-/m1/s1
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n/an/a>1.00E+4n/an/an/an/an/an/a



University of Nebraska Medical Center

Curated by ChEMBL


Assay Description
Inhibition of mouse TRPC4 by FLIPR assay


J Med Chem 62: 7589-7602 (2019)


Article DOI: 10.1021/acs.jmedchem.8b01954
More data for this
Ligand-Target Pair