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3 similar compounds to monomer 50061717

Compile data set for download or QSAR
Wt: 507.6
BDBM50061720
Wt: 539.6
BDBM50061713
Wt: 539.6
BDBM50061714

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50061720,50061713,50061714   
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))
BDBM50061720
PNG
(CHEMBL3394199)
Show SMILES COc1ccc(CC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C#N
Show InChI InChI=1/C31H33N5O2/c1-21-13-28(34-20-33-21)24-4-7-27-23(14-24)5-8-29(27)36-18-31(19-36)9-11-35(12-10-31)30(37)16-22-3-6-26(38-2)15-25(22)17-32/h3-4,6-7,13-15,20,29H,5,8-12,16,18-19H2,1-2H3/t29-/s2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
13n/an/an/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 method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50061713
PNG
(CHEMBL3394205)
Show SMILES CNC(=O)c1cc(OC)ccc1CC(=O)N1CCC2(CN(C2)[C@@H]2CCc3cc(ccc23)-c2cc(C)ncn2)CC1
Show InChI InChI=1/C32H37N5O3/c1-21-14-28(35-20-34-21)24-5-8-26-22(15-24)6-9-29(26)37-18-32(19-37)10-12-36(13-11-32)30(38)16-23-4-7-25(40-3)17-27(23)31(39)33-2/h4-5,7-8,14-15,17,20,29H,6,9-13,16,18-19H2,1-3H3,(H,33,39)/t29-/s2
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UniProtKB/SwissProt

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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/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 method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50061714
PNG
(CHEMBL3394204)
Show SMILES COc1ccc(CCC(=O)N2CCC3(CN(C3)[C@@H]3CCc4cc(ccc34)-c3cc(C)ncn3)CC2)c(c1)C(N)=O
Show InChI InChI=1/C32H37N5O3/c1-21-15-28(35-20-34-21)24-4-8-26-23(16-24)5-9-29(26)37-18-32(19-37)11-13-36(14-12-32)30(38)10-6-22-3-7-25(40-2)17-27(22)31(33)39/h3-4,7-8,15-17,20,29H,5-6,9-14,18-19H2,1-2H3,(H2,33,39)/t29-/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
139n/an/an/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 method


ACS Med Chem Lett 6: 156-61 (2015)


Article DOI: 10.1021/ml500414n
BindingDB Entry DOI: 10.7270/Q2N58P10
More data for this
Ligand-Target Pair