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BDBM50181191 CHEMBL205711::N-(3-chlorobenzyl)-3-(5-(4-(4-(methylsulfonyl)benzylamino)phenyl)-2,6-diaminopyrimidin-4-yl)propanamide

SMILES: CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CCC(=O)NCc2cccc(Cl)c2)cc1

InChI Key: InChIKey=YFQQMWDYCMFAGS-UHFFFAOYSA-N

Data: 2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50181191   
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
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181191
PNG
(CHEMBL205711 | N-(3-chlorobenzyl)-3-(5-(4-(4-(meth...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CCC(=O)NCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C28H29ClN6O3S/c1-39(37,38)23-11-5-18(6-12-23)16-32-22-9-7-20(8-10-22)26-24(34-28(31)35-27(26)30)13-14-25(36)33-17-19-3-2-4-21(29)15-19/h2-12,15,32H,13-14,16-17H2,1H3,(H,33,36)(H4,30,31,34,35)
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PC cid
PC sid
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Similars

Article
PubMed
n/an/a 5.40n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by FLIPR


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair
Growth hormone secretagogue receptor type 1


(Homo sapiens (Human))
BDBM50181191
PNG
(CHEMBL205711 | N-(3-chlorobenzyl)-3-(5-(4-(4-(meth...)
Show SMILES CS(=O)(=O)c1ccc(CNc2ccc(cc2)-c2c(N)nc(N)nc2CCC(=O)NCc2cccc(Cl)c2)cc1
Show InChI InChI=1S/C28H29ClN6O3S/c1-39(37,38)23-11-5-18(6-12-23)16-32-22-9-7-20(8-10-22)26-24(34-28(31)35-27(26)30)13-14-25(36)33-17-19-3-2-4-21(29)15-19/h2-12,15,32H,13-14,16-17H2,1H3,(H,33,36)(H4,30,31,34,35)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of human GHS receptor by binding assay


Bioorg Med Chem Lett 16: 1864-8 (2006)


Article DOI: 10.1016/j.bmcl.2006.01.012
BindingDB Entry DOI: 10.7270/Q2610ZW2
More data for this
Ligand-Target Pair