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2 similar compounds to monomer 50159502

Wt: 339.4
BDBM50159499
Wt: 363.3
BDBM50159509

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50159499,50159509   
Target
(Institution)
LigandTarget
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 A2b


(Homo sapiens (Human))
BDBM50159499
PNG
(CHEMBL3785618)
Show SMILES CCOC(=O)C1=C(C)Nc2nc3ccccc3n2C1c1ccsc1
Show InChI InChI=1/C18H17N3O2S/c1-3-23-17(22)15-11(2)19-18-20-13-6-4-5-7-14(13)21(18)16(15)12-8-9-24-10-12/h4-10,16H,3H2,1-2H3,(H,19,20)
NCI pathway
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KEGG

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PC cid
PC sid
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PubMed
30n/an/an/an/an/an/an/an/a



Uppsala University

Curated by ChEMBL


Assay Description
Displacement of [3H]DPCPX from human Adenosine A2B receptor expressed in HEK293 cells after 30 mins


J Med Chem 59: 1967-83 (2016)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159509
PNG
(CHEMBL3787216)
Show SMILES O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/s2
PDB

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KEGG

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay


J Med Chem 59: 2163-78 (2016)

More data for this
Ligand-Target Pair
Receptor-interacting serine/threonine-protein kinase 1


(Homo sapiens (Human))
BDBM50159509
PNG
(CHEMBL3787216)
Show SMILES O=C(N[C@@H]1COc2ccccc2NC1=O)c1cc(Cc2ccccc2)on1
Show InChI InChI=1/C20H17N3O4/c24-19(16-11-14(27-23-16)10-13-6-2-1-3-7-13)22-17-12-26-18-9-5-4-8-15(18)21-20(17)25/h1-9,11,17H,10,12H2,(H,21,25)(H,22,24)/t17-/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents


Similars

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



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Binding affinity to human RIP1 (1 to 375 residues) preincubated for 10 mins measured after 20 mins by fluorescence polarization assay


J Med Chem 59: 2163-78 (2016)

More data for this
Ligand-Target Pair