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3 similar compounds to monomer 123316

Compile data set for download or QSAR
Wt: 561.9
BDBM123309
Wt: 563.5
BDBM123312
Wt: 525.9
BDBM123313

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 123309,123312,123313   
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
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123309
PNG
(US8742110, 6-27)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3nc(oc3-c3ccc(F)c(Cl)c3)-c3ccccc3)CC2)OC1=O
Show InChI InChI=1S/C30H25ClFN3O5/c31-23-16-21(8-11-24(23)32)26-25(33-27(39-26)19-4-2-1-3-5-19)17-34-14-12-30(13-15-34)18-35(29(38)40-30)22-9-6-20(7-10-22)28(36)37/h1-11,16H,12-15,17-18H2,(H,36,37)
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 119n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123313
PNG
(US8742110, 6-31)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3nc(oc3-c3ccc(F)c(Cl)c3)C3CC3)CC2)OC1=O
Show InChI InChI=1S/C27H25ClFN3O5/c28-20-13-18(5-8-21(20)29)23-22(30-24(36-23)16-1-2-16)14-31-11-9-27(10-12-31)15-32(26(35)37-27)19-6-3-17(4-7-19)25(33)34/h3-8,13,16H,1-2,9-12,14-15H2,(H,33,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 415n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM123312
PNG
(US8742110, 6-30)
Show SMILES OC(=O)c1ccc(cc1)N1CC2(CCN(Cc3nc(oc3-c3cc(F)c(F)cc3F)-c3ccccc3)CC2)OC1=O
Show InChI InChI=1S/C30H24F3N3O5/c31-22-15-24(33)23(32)14-21(22)26-25(34-27(40-26)18-4-2-1-3-5-18)16-35-12-10-30(11-13-35)17-36(29(39)41-30)20-8-6-19(7-9-20)28(37)38/h1-9,14-15H,10-13,16-17H2,(H,37,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 89.9n/an/an/an/a7.8n/a



Merck Sharp & Dohme Corp

US Patent


Assay Description
SSTR5 binding assays can be performed by labeling somatostatin and determining the ability of a compound to inhibit somatostatin binding. (Poitout et...


US Patent US8742110 (2014)


BindingDB Entry DOI: 10.7270/Q26H4G39
More data for this
Ligand-Target Pair