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2 similar compounds to monomer 50386955

Compile data set for download or QSAR
Wt: 461.5
BDBM50386954
Wt: 460.5
BDBM50386956

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50386954,50386956   
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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386954
PNG
(CHEMBL2048819)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-n5nccn5)C4)CC3)nc2s1
Show InChI InChI=1S/C24H27N7OS/c1-18-13-30-15-20(27-23(30)33-18)12-22(32)29-10-6-24(7-11-29)16-28(17-24)14-19-2-4-21(5-3-19)31-25-8-9-26-31/h2-5,8-9,13,15H,6-7,10-12,14,16-17H2,1H3
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
69n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386956
PNG
(CHEMBL2048821)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-n5cccn5)C4)CC3)nc2s1
Show InChI InChI=1S/C25H28N6OS/c1-19-14-30-16-21(27-24(30)33-19)13-23(32)29-11-7-25(8-12-29)17-28(18-25)15-20-3-5-22(6-4-20)31-10-2-9-26-31/h2-6,9-10,14,16H,7-8,11-13,15,17-18H2,1H3
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UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
206n/an/an/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Antagonist activity at human GHS-R1a expressed in HEK293 cells assessed as inhibition of ghrelin-induced europium-labeled GTP binding by DELFIA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386954
PNG
(CHEMBL2048819)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-n5nccn5)C4)CC3)nc2s1
Show InChI InChI=1S/C24H27N7OS/c1-18-13-30-15-20(27-23(30)33-18)12-22(32)29-10-6-24(7-11-29)16-28(17-24)14-19-2-4-21(5-3-19)31-25-8-9-26-31/h2-5,8-9,13,15H,6-7,10-12,14,16-17H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 25n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50386956
PNG
(CHEMBL2048821)
Show SMILES Cc1cn2cc(CC(=O)N3CCC4(CN(Cc5ccc(cc5)-n5cccn5)C4)CC3)nc2s1
Show InChI InChI=1S/C25H28N6OS/c1-19-14-30-16-21(27-24(30)33-19)13-23(32)29-11-7-25(8-12-29)17-28(18-25)15-20-3-5-22(6-4-20)31-10-2-9-26-31/h2-6,9-10,14,16H,7-8,11-13,15,17-18H2,1H3
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 298n/an/an/an/an/an/a



Pfizer Inc.

Curated by ChEMBL


Assay Description
Displacement of [125I]Ghrelin from human GHS-R1a expressed in HEK293 cells after 8 hrs by SPA


Bioorg Med Chem Lett 22: 4281-7 (2012)


Article DOI: 10.1016/j.bmcl.2012.05.024
BindingDB Entry DOI: 10.7270/Q2P2705D
More data for this
Ligand-Target Pair