BindingDB logo
myBDB logout

Patent code US8754099

Compile Data Set for Download or QSAR
Found 5 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kJ/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Somatostatin receptor type 3


(Homo sapiens (Human))		BDBM124131
PNG
(US8754099, 22)
Show SMILES COC1CC2C(C1)C2C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)c(C)n1)c1nnc(C)o1 |r,wD:10.25,(-6.61,-7.12,;-5.07,-7.12,;-4.3,-5.78,;-5.07,-4.45,;-4.3,-3.12,;-1.99,-4.45,;-2.76,-5.78,;-2.76,-3.12,;-1.99,-1.78,;-.65,-1.01,;-.65,.53,;-1.99,1.3,;-3.32,.53,;-3.32,-1.01,;-4.79,-1.49,;-5.69,-.24,;-7.22,-.08,;-7.85,1.32,;-6.94,2.57,;-5.41,2.41,;-4.79,1,;.68,1.3,;1.16,2.76,;2.7,2.76,;3.17,1.3,;1.93,.39,;3.78,3.85,;3.39,5.34,;4.48,6.43,;5.96,6.03,;7.05,7.12,;6.36,4.54,;7.85,4.14,;5.27,3.45,;-.65,-2.55,;-.65,-4.09,;.81,-4.57,;1.72,-3.32,;3.26,-3.32,;.81,-2.08,)|
Show InChI InChI=1S/C30H30FN7O2/c1-14-21(31)8-9-23(33-14)25-13-32-28(35-25)24-12-20-17-6-4-5-7-22(17)34-27(20)30(36-24,29-38-37-15(2)40-29)26-18-10-16(39-3)11-19(18)26/h4-9,13,16,18-19,24,26,34,36H,10-12H2,1-3H3,(H,32,35)/t16?,18?,19?,24-,26?,30?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.20n/an/an/an/a7.825



Merck Sharp & Dohme Corp

US Patent


Assay Description
The receptor-ligand binding Scintillation Proximity Assay (SPA) (N. D. Cook. Drug Discovery Today 1 (1996), pp. 287-294) for SSTR3 was performed with...

US Patent US8754099 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99G5
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))		BDBM124130
PNG
(US8754099, 21)
Show SMILES Cc1nnc(o1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)c(C)n1)C1CCCCO1 |r|
Show InChI InChI=1S/C28H28FN7O2/c1-15-19(29)10-11-21(31-15)23-14-30-26(33-23)22-13-18-17-7-3-4-8-20(17)32-25(18)28(34-22,24-9-5-6-12-37-24)27-36-35-16(2)38-27/h3-4,7-8,10-11,14,22,24,32,34H,5-6,9,12-13H2,1-2H3,(H,30,33)/t22-,24?,28?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 1.70n/an/an/an/a7.825



Merck Sharp & Dohme Corp

US Patent


Assay Description
The receptor-ligand binding Scintillation Proximity Assay (SPA) (N. D. Cook. Drug Discovery Today 1 (1996), pp. 287-294) for SSTR3 was performed with...

US Patent US8754099 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99G5
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))		BDBM124114
PNG
(US8754099, 4)
Show SMILES CCOC[C@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(C)o1 |r|
Show InChI InChI=1S/C25H24FN7O2/c1-3-34-13-25(24-33-32-14(2)35-24)22-17(16-6-4-5-7-18(16)29-22)10-20(31-25)23-28-12-21(30-23)19-9-8-15(26)11-27-19/h4-9,11-12,20,29,31H,3,10,13H2,1-2H3,(H,28,30)/t20-,25-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 2.60n/an/an/an/a7.825



Merck Sharp & Dohme Corp

US Patent


Assay Description
The receptor-ligand binding Scintillation Proximity Assay (SPA) (N. D. Cook. Drug Discovery Today 1 (1996), pp. 287-294) for SSTR3 was performed with...

US Patent US8754099 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99G5
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))		BDBM124129
PNG
(US8754099, 20)
Show SMILES Cc1nnc(o1)C1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)c(C)n1)C1CCCO1 |r|
Show InChI InChI=1S/C27H26FN7O2/c1-14-18(28)9-10-20(30-14)22-13-29-25(32-22)21-12-17-16-6-3-4-7-19(16)31-24(17)27(33-21,23-8-5-11-36-23)26-35-34-15(2)37-26/h3-4,6-7,9-10,13,21,23,31,33H,5,8,11-12H2,1-2H3,(H,29,32)/t21-,23?,27?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 4.60n/an/an/an/a7.825



Merck Sharp & Dohme Corp

US Patent


Assay Description
The receptor-ligand binding Scintillation Proximity Assay (SPA) (N. D. Cook. Drug Discovery Today 1 (1996), pp. 287-294) for SSTR3 was performed with...

US Patent US8754099 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99G5
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))		BDBM124113
PNG
(US8754099, 3)
Show SMILES CCOC[C@@]1(N[C@H](Cc2c1[nH]c1ccccc21)c1nc(c[nH]1)-c1ccc(F)cn1)c1nnc(C)o1 |r|
Show InChI InChI=1S/C25H24FN7O2/c1-3-34-13-25(24-33-32-14(2)35-24)22-17(16-6-4-5-7-18(16)29-22)10-20(31-25)23-28-12-21(30-23)19-9-8-15(26)11-27-19/h4-9,11-12,20,29,31H,3,10,13H2,1-2H3,(H,28,30)/t20-,25+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
US Patent
n/an/a 43.8n/an/an/an/a7.825



Merck Sharp & Dohme Corp

US Patent


Assay Description
The receptor-ligand binding Scintillation Proximity Assay (SPA) (N. D. Cook. Drug Discovery Today 1 (1996), pp. 287-294) for SSTR3 was performed with...

US Patent US8754099 (2014)


BindingDB Entry DOI: 10.7270/Q2KK99G5
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%