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2 similar compounds to monomer 50130698

Wt: 370.2
BDBM50079982
Wt: 466.9
BDBM50159287

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50079982,50159287   
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
Heme Oxygenase 1 (HO-1)


(Rattus norvegicus (rat))
BDBM50079982
PNG
(CHEMBL3415245)
Show SMILES Ic1ccc(OCCCCCCn2ccnc2)cc1
Show InChI InChI=1S/C15H19IN2O/c16-14-5-7-15(8-6-14)19-12-4-2-1-3-10-18-11-9-17-13-18/h5-9,11,13H,1-4,10,12H2
PDB
MMDB

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Article
PubMed
n/an/a 4.20E+4n/an/an/an/an/an/a



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO1 in Sprague-Dawley rat spleen microsomal fraction assessed as reduction in bilirubin formation incubated for 60 mins by double beam ...


Eur J Med Chem 96: 162-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.003
BindingDB Entry DOI: 10.7270/Q2KH0Q16
More data for this
Ligand-Target Pair
Voltage-gated potassium channel


(Homo sapiens (human))
BDBM50159287
PNG
(CHEMBL3786923)
Show SMILES Clc1ccccc1-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C25H27ClN4O3/c26-22-6-2-1-5-21(22)23-27-28-24(33-23)25(31)30-15-11-20(12-16-30)32-19-9-7-18(8-10-19)17-29-13-3-4-14-29/h1-2,5-10,20H,3-4,11-17H2
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n/an/a 5.30E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Inhibition of human ERG by IonWork assay


J Med Chem 59: 2497-511 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair
Melanin-concentrating hormone receptor


(Homo sapiens (human))
BDBM50159287
PNG
(CHEMBL3786923)
Show SMILES Clc1ccccc1-c1nnc(o1)C(=O)N1CCC(CC1)Oc1ccc(CN2CCCC2)cc1
Show InChI InChI=1S/C25H27ClN4O3/c26-22-6-2-1-5-21(22)23-27-28-24(33-23)25(31)30-15-11-20(12-16-30)32-19-9-7-18(8-10-19)17-29-13-3-4-14-29/h1-2,5-10,20H,3-4,11-17H2
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n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Antagonist activity at human MCHR1 expressed in CHO cell membranes preincubated for 5 mins followed by addition of MCH peptide measured after 45 mins...


J Med Chem 59: 2497-511 (2016)


Article DOI: 10.1021/acs.jmedchem.5b01654
BindingDB Entry DOI: 10.7270/Q23R0VSS
More data for this
Ligand-Target Pair
Heme Oxygenase 2 (HO-2)


(Rattus norvegicus (rat))
BDBM50079982
PNG
(CHEMBL3415245)
Show SMILES Ic1ccc(OCCCCCCn2ccnc2)cc1
Show InChI InChI=1S/C15H19IN2O/c16-14-5-7-15(8-6-14)19-12-4-2-1-3-10-18-11-9-17-13-18/h5-9,11,13H,1-4,10,12H2
PDB
MMDB

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KEGG

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PC sid
UniChem

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



University of Catania

Curated by ChEMBL


Assay Description
Inhibition of HO2 in Sprague-Dawley rat brain microsomal fraction assessed as reduction in bilirubin formation incubated for 60 mins by double beam s...


Eur J Med Chem 96: 162-72 (2015)


Article DOI: 10.1016/j.ejmech.2015.04.003
BindingDB Entry DOI: 10.7270/Q2KH0Q16
More data for this
Ligand-Target Pair