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2 similar compounds to monomer 50117120

Compile data set for download or QSAR
Wt: 434.9
BDBM50117130
Wt: 464.5
BDBM50117134

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50117130,50117134   
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
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117134
PNG
(CHEMBL3613126)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)N2CCOCC2)c1C#N
Show InChI InChI=1S/C22H20N6O2S2/c1-29-16-4-2-14(3-5-16)19-17(10-23)20(25)27-21(18(19)11-24)31-12-15-13-32-22(26-15)28-6-8-30-9-7-28/h2-5,13H,6-9,12H2,1H3,(H2,25,27)
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PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human adenosine A1 receptor expressed in CHO cell membranes by competition association assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair
Serotonin (5-HT) receptor


(Rattus norvegicus (rat))
BDBM50117130
PNG
(6-(1H-benzo[d]imidazol-1-yl)-2-(2-(4-(2-chlorophen...)
Show SMILES Clc1ccccc1N1CCN(CCn2nc(ccc2=O)-n2cnc3ccccc23)CC1
Show InChI InChI=1S/C23H23ClN6O/c24-18-5-1-3-7-20(18)28-14-11-27(12-15-28)13-16-30-23(31)10-9-22(26-30)29-17-25-19-6-2-4-8-21(19)29/h1-10,17H,11-16H2
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GoogleScholar
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PC cid
PC sid
UniChem

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Article
PubMed
1.01E+3n/an/an/an/an/an/an/an/a



Università di Pisa

Curated by ChEMBL


Assay Description
Binding affinity against 5-hydroxytryptamine 1A receptor by displacing [3H]-8-OH-DPAT radioligand in rat cortex membrane


J Med Chem 45: 3603-11 (2002)


Article DOI: 10.1021/jm011077g
BindingDB Entry DOI: 10.7270/Q2NV9HMT
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50117134
PNG
(CHEMBL3613126)
Show SMILES COc1ccc(cc1)-c1c(C#N)c(N)nc(SCc2csc(n2)N2CCOCC2)c1C#N
Show InChI InChI=1S/C22H20N6O2S2/c1-29-16-4-2-14(3-5-16)19-17(10-23)20(25)27-21(18(19)11-24)31-12-15-13-32-22(26-15)28-6-8-30-9-7-28/h2-5,13H,6-9,12H2,1H3,(H2,25,27)
PDB

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CHEMBL
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PC sid
UniChem

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Article
PubMed
n/an/an/an/a 1.90n/an/an/an/a



Leiden University

Curated by ChEMBL


Assay Description
Agonist activity at human adenosine A1 receptor expressed in CHO cell membranes by [35S]GTPgammaS binding assay


Eur J Med Chem 101: 681-91 (2015)


Article DOI: 10.1016/j.ejmech.2015.07.023
BindingDB Entry DOI: 10.7270/Q2FX7C8R
More data for this
Ligand-Target Pair