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4 similar compounds to monomer 50003710

Compile data set for download or QSAR
Wt: 352.3
BDBM50003711
Wt: 296.3
BDBM50003735
Wt: 479.0
BDBM50003712
Wt: 374.8
BDBM50003683

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50003711,50003735,50003712,50003683   
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))
BDBM50003711
PNG
(CHEMBL3233035)
Show SMILES Nc1nc(SCc2c[nH]cn2)nc(-c2ccc3OCOc3c2)c1C#N
Show InChI InChI=1S/C16H12N6O2S/c17-4-11-14(9-1-2-12-13(3-9)24-8-23-12)21-16(22-15(11)18)25-6-10-5-19-7-20-10/h1-3,5,7H,6,8H2,(H,19,20)(H2,18,21,22)
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Article
PubMed
83n/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 after 1 hr by beta scintillation counting analysis


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Adenosine receptor A1


(Homo sapiens (Human))
BDBM50003712
PNG
(CHEMBL3234943)
Show SMILES CN(C)c1ccc(cc1)-c1nc(SCc2csc(n2)-c2ccc(Cl)cc2)nc(N)c1C#N
Show InChI InChI=1S/C23H19ClN6S2/c1-30(2)18-9-5-14(6-10-18)20-19(11-25)21(26)29-23(28-20)32-13-17-12-31-22(27-17)15-3-7-16(24)8-4-15/h3-10,12H,13H2,1-2H3,(H2,26,28,29)
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233n/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 after 1 hr by beta scintillation counting analysis


J Med Chem 57: 3213-22 (2014)


Article DOI: 10.1021/jm401643m
BindingDB Entry DOI: 10.7270/Q27P90X6
More data for this
Ligand-Target Pair
Diacylglycerol O-acyltransferase 1 (DGAT1)


(Homo sapiens (Human))
BDBM50003735
PNG
(CHEMBL3235301)
Show SMILES CC(C)c1ccc(cc1)C1=Nc2c(N)ncnc2OC1(C)C
Show InChI InChI=1S/C17H20N4O/c1-10(2)11-5-7-12(8-6-11)14-17(3,4)22-16-13(21-14)15(18)19-9-20-16/h5-10H,1-4H3,(H2,18,19,20)
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CHEMBL
PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 90n/an/an/an/an/an/a



Amgen Inc.

Curated by ChEMBL


Assay Description
Inhibition of human liver flag-tagged DGAT1 expressed in baculovirus infected insect cells after 2 hrs by SPA


J Med Chem 57: 3464-83 (2014)


Article DOI: 10.1021/jm500135c
BindingDB Entry DOI: 10.7270/Q23X886W
More data for this
Ligand-Target Pair
Histidine-rich protein


(Plasmodium falciparum)
BDBM50003683
PNG
(CHEMBL513473)
Show SMILES Clc1ccc2c(NCCN3C(=O)C(=O)N(CC=C)C3=S)ccnc2c1
Show InChI InChI=1S/C17H15ClN4O2S/c1-2-8-21-15(23)16(24)22(17(21)25)9-7-20-13-5-6-19-14-10-11(18)3-4-12(13)14/h2-6,10H,1,7-9H2,(H,19,20)
UniProtKB/SwissProt

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PC cid
PC sid
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Article
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n/an/a 9.40n/an/an/an/an/an/a



Central Drug Research Institute

Curated by ChEMBL


Assay Description
Antiplasmodial activity as inhibition of beta-hematin against Plasmodium yoelii N67 infected Swiss mice (Mus musculus) erythrocytes


Bioorg Med Chem Lett 19: 2570-3 (2009)


Article DOI: 10.1016/j.bmcl.2009.03.026
BindingDB Entry DOI: 10.7270/Q2JD4Z8D
More data for this
Ligand-Target Pair