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BDBM50241539 CHEMBL4084845

SMILES: Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N

InChI Key: InChIKey=IQVDLEXWAPYWDT-IBGZPJMESA-N

Data: 3 IC50  1 Kd  1 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 5 hits for monomerid = 50241539   
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
1,3-beta-glucan synthase component GLS2


(Saccharomyces cerevisiae)
BDBM50241539
PNG
(CHEMBL4084845)
Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1
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Article
PubMed
n/an/a 3.20E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human hERG by patch clamp method


J Med Chem 60: 7984-7999 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00462
BindingDB Entry DOI: 10.7270/Q2M32XX8
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241539
PNG
(CHEMBL4084845)
Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1
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n/an/an/an/a 300n/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of LSD1 in human THP1 cells assessed as induction of CD86 expression after 48 hrs by flow cytometric analysis


J Med Chem 60: 7984-7999 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00462
BindingDB Entry DOI: 10.7270/Q2M32XX8
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50241539
PNG
(CHEMBL4084845)
Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1
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n/an/a 3.00E+3n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of human ERG by patch clamp assay


Bioorg Med Chem Lett 27: 3190-3195 (2017)


Article DOI: 10.1016/j.bmcl.2017.05.018
BindingDB Entry DOI: 10.7270/Q2M047W8
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241539
PNG
(CHEMBL4084845)
Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1
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n/an/an/a 9n/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Inhibition of [3H]WIN-35248 binding to the dopamine transporter in rat striatal membranes.


J Med Chem 60: 7984-7999 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00462
BindingDB Entry DOI: 10.7270/Q2M32XX8
More data for this
Ligand-Target Pair
Lysine-specific histone demethylase 1A


(Homo sapiens (Human))
BDBM50241539
PNG
(CHEMBL4084845)
Show SMILES Cc1ccc(cc1)-c1ncc(OC[C@H]2CCNC2)cc1-c1ccc(cc1)C#N |r|
Show InChI InChI=1S/C24H23N3O/c1-17-2-6-21(7-3-17)24-23(20-8-4-18(13-25)5-9-20)12-22(15-27-24)28-16-19-10-11-26-14-19/h2-9,12,15,19,26H,10-11,14,16H2,1H3/t19-/m0/s1
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PC sid
UniChem

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Article
PubMed
n/an/a 37n/an/an/an/an/an/a



University of Manchester

Curated by ChEMBL


Assay Description
Kinetic constant was measured for PMII of Leishmania donovani promastigotes using supernatant (S12) fraction


J Med Chem 60: 7984-7999 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00462
BindingDB Entry DOI: 10.7270/Q2M32XX8
More data for this
Ligand-Target Pair