new BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 23 hits with Last Name = 'murray' and Initial = 'mc'   
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
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120502
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-tert-butyl-3-oxo-2,3...)
Show SMILES CC(C)(C)N1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:5|
Show InChI InChI=1S/C31H39F2N5O4/c1-29(2,3)38-28(41)31(16-20-9-7-6-8-10-20)19-37(14-13-25(31)36-38)26(39)24(35-27(40)30(4,5)34)18-42-17-21-11-12-22(32)23(33)15-21/h6-12,15,24H,13-14,16-19,34H2,1-5H3,(H,35,40)/t24-,31?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.340n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120504
PNG
(2-Amino-N-[(R)-2-[3a-benzyl-3-oxo-2-(2,2,2-trifluo...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)c(F)c1)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)C2(Cc2ccccc2)C1 |t:25|
Show InChI InChI=1S/C29H32F5N5O4/c1-27(2,35)25(41)36-22(15-43-14-19-8-9-20(30)21(31)12-19)24(40)38-11-10-23-28(16-38,13-18-6-4-3-5-7-18)26(42)39(37-23)17-29(32,33)34/h3-9,12,22H,10-11,13-17,35H2,1-2H3,(H,36,41)/t22-,28?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
0.450n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120505
PNG
(2-Amino-N-{(R)-1-(2,4-difluoro-benzyloxymethyl)-2-...)
Show SMILES CC(C)(N)C(=O)N[C@H](COCc1ccc(F)cc1F)C(=O)N1CCC2=NN(CC(F)(F)F)C(=O)[C@]2(Cc2ccccn2)C1 |t:25|
Show InChI InChI=1S/C28H31F5N6O4/c1-26(2,34)24(41)36-21(14-43-13-17-6-7-18(29)11-20(17)30)23(40)38-10-8-22-27(15-38,12-19-5-3-4-9-35-19)25(42)39(37-22)16-28(31,32)33/h3-7,9,11,21H,8,10,12-16,34H2,1-2H3,(H,36,41)/t21-,27-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
5n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50083974
PNG
(2-Amino-N-[(R)-2-((R)-3a-benzyl-2-methyl-3-oxo-2,3...)
Show SMILES CN1N=C2CCN(C[C@@]2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccccc1)NC(=O)C(C)(C)N |t:2|
Show InChI InChI=1S/C28H35N5O4/c1-27(2,29)25(35)30-22(18-37-17-21-12-8-5-9-13-21)24(34)33-15-14-23-28(19-33,26(36)32(3)31-23)16-20-10-6-4-7-11-20/h4-13,22H,14-19,29H2,1-3H3,(H,30,35)/t22-,28-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
Purchase

CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
7n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Ghrelin receptor


(Homo sapiens (Human))
BDBM50120503
PNG
(2-Amino-N-[(R)-2-(3a-benzyl-2-methyl-3-oxo-2,3,3a,...)
Show SMILES CN1N=C2CCN(CC2(Cc2ccccc2)C1=O)C(=O)[C@@H](COCc1ccc(F)c(F)c1)NC(=O)C(C)(C)N |t:2|
Show InChI InChI=1S/C28H33F2N5O4/c1-27(2,31)25(37)32-22(16-39-15-19-9-10-20(29)21(30)13-19)24(36)35-12-11-23-28(17-35,26(38)34(3)33-23)14-18-7-5-4-6-8-18/h4-10,13,22H,11-12,14-17,31H2,1-3H3,(H,32,37)/t22-,28?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
18n/an/an/an/an/an/an/an/a



Pfizer Global Research & Development

Curated by ChEMBL


Assay Description
In vitro binding affinity of the compound was determined against human type 1a growth hormone secretagogue receptor (hGHS-R1a), using [125I]-ghrelin ...


Bioorg Med Chem Lett 12: 3279-82 (2002)


BindingDB Entry DOI: 10.7270/Q23F4NZZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105469
PNG
((S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(2-oxo-...)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C34H45N7O5/c1-34(2,3)46-31(43)27(13-8-9-17-35)37-30(42)28(20-22-21-36-25-11-5-4-10-24(22)25)39-32(44)40-18-15-23(16-19-40)41-29-14-7-6-12-26(29)38-33(41)45/h4-7,10-12,14,21,23,27-28,36H,8-9,13,15-20,35H2,1-3H3,(H,37,42)(H,38,45)(H,39,44)/t27-,28+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 0.260n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105466
PNG
((S)-6-Amino-2-[(R)-2-[(4-benzenesulfonyl-piperazin...)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C32H44N6O6S/c1-32(2,3)44-30(40)27(15-9-10-16-33)35-29(39)28(21-23-22-34-26-14-8-7-13-25(23)26)36-31(41)37-17-19-38(20-18-37)45(42,43)24-11-5-4-6-12-24/h4-8,11-14,22,27-28,34H,9-10,15-21,33H2,1-3H3,(H,35,39)(H,36,41)/t27-,28+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 2.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105472
PNG
((S)-6-Amino-2-[(R)-2-[(1-benzenesulfonyl-piperidin...)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C33H45N5O6S/c1-33(2,3)44-32(41)28(15-9-10-18-34)36-31(40)29(21-24-22-35-27-14-8-7-13-26(24)27)37-30(39)23-16-19-38(20-17-23)45(42,43)25-11-5-4-6-12-25/h4-8,11-14,22-23,28-29,35H,9-10,15-21,34H2,1-3H3,(H,36,40)(H,37,39)/t28-,29+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 3.20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105465
PNG
((4R,8S,11S,17S)-8-(4-Amino-butyl)-17-(2-amino-3-na...)
Show SMILES CC(C)(C)C1N[C@@H](CSSC[C@@H](NC(=O)C(N)Cc2cccc(F)c2)C(=O)NC(Cc2cccnc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C1=O)C(=O)NC(Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C58H70FN11O7S2/c1-58(2,3)51-50(71)44(22-8-9-23-60)66-55(75)47(29-38-31-64-43-21-7-6-20-41(38)43)69-54(74)46(27-35-14-12-24-63-30-35)68-57(77)49(70-53(73)42(61)26-34-13-10-18-39(59)25-34)33-79-78-32-48(65-51)56(76)67-45(52(62)72)28-37-17-11-16-36-15-4-5-19-40(36)37/h4-7,10-21,24-25,30-31,42,44-49,51,64-65H,8-9,22-23,26-29,32-33,60-61H2,1-3H3,(H2,62,72)(H,66,75)(H,67,76)(H,68,77)(H,69,74)(H,70,73)/t42?,44-,45?,46?,47-,48-,49+,51?/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.10n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105470
PNG
((S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(4-meth...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H46N6O5/c1-23-12-14-24(15-13-23)31(42)39-17-19-40(20-18-39)33(44)38-29(21-25-22-36-27-10-6-5-9-26(25)27)30(41)37-28(11-7-8-16-35)32(43)45-34(2,3)4/h5-6,9-10,12-15,22,28-29,36H,7-8,11,16-21,35H2,1-4H3,(H,37,41)(H,38,44)/t28-,29+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 4.40n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105469
PNG
((S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(2-oxo-...)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCC(CC1)n1c2ccccc2[nH]c1=O
Show InChI InChI=1S/C34H45N7O5/c1-34(2,3)46-31(43)27(13-8-9-17-35)37-30(42)28(20-22-21-36-25-11-5-4-10-24(22)25)39-32(44)40-18-15-23(16-19-40)41-29-14-7-6-12-26(29)38-33(41)45/h4-7,10-12,14,21,23,27-28,36H,8-9,13,15-20,35H2,1-3H3,(H,37,42)(H,38,45)(H,39,44)/t27-,28+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 6.5n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105468
PNG
((S)-6-Amino-2-[(R)-2-[(4-benzoyl-piperazine-1-carb...)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C33H44N6O5/c1-33(2,3)44-31(42)27(15-9-10-16-34)36-29(40)28(21-24-22-35-26-14-8-7-13-25(24)26)37-32(43)39-19-17-38(18-20-39)30(41)23-11-5-4-6-12-23/h4-8,11-14,22,27-28,35H,9-10,15-21,34H2,1-3H3,(H,36,40)(H,37,43)/t27-,28+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.90n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105471
PNG
((S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(toluen...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
Show InChI InChI=1S/C33H46N6O6S/c1-23-12-14-25(15-13-23)46(43,44)39-19-17-38(18-20-39)32(42)37-29(21-24-22-35-27-10-6-5-9-26(24)27)30(40)36-28(11-7-8-16-34)31(41)45-33(2,3)4/h5-6,9-10,12-15,22,28-29,35H,7-8,11,16-21,34H2,1-4H3,(H,36,40)(H,37,42)/t28-,29+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 9.20n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105466
PNG
((S)-6-Amino-2-[(R)-2-[(4-benzenesulfonyl-piperazin...)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C32H44N6O6S/c1-32(2,3)44-30(40)27(15-9-10-16-33)35-29(39)28(21-23-22-34-26-14-8-7-13-25(23)26)36-31(41)37-17-19-38(20-18-37)45(42,43)24-11-5-4-6-12-24/h4-8,11-14,22,27-28,34H,9-10,15-21,33H2,1-3H3,(H,35,39)(H,36,41)/t27-,28+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 29n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105470
PNG
((S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(4-meth...)
Show SMILES Cc1ccc(cc1)C(=O)N1CCN(CC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
Show InChI InChI=1S/C34H46N6O5/c1-23-12-14-24(15-13-23)31(42)39-17-19-40(20-18-39)33(44)38-29(21-25-22-36-27-10-6-5-9-26(25)27)30(41)37-28(11-7-8-16-35)32(43)45-34(2,3)4/h5-6,9-10,12-15,22,28-29,36H,7-8,11,16-21,35H2,1-4H3,(H,37,41)(H,38,44)/t28-,29+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 67n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105467
PNG
((S)-6-Amino-2-[(S)-2-[(biphenyl-4-carbonyl)-amino]...)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H40N4O4/c1-34(2,3)42-33(41)29(15-9-10-20-35)37-32(40)30(21-26-22-36-28-14-8-7-13-27(26)28)38-31(39)25-18-16-24(17-19-25)23-11-5-4-6-12-23/h4-8,11-14,16-19,22,29-30,36H,9-10,15,20-21,35H2,1-3H3,(H,37,40)(H,38,39)/t29-,30-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 85n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105472
PNG
((S)-6-Amino-2-[(R)-2-[(1-benzenesulfonyl-piperidin...)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C1CCN(CC1)S(=O)(=O)c1ccccc1
Show InChI InChI=1S/C33H45N5O6S/c1-33(2,3)44-32(41)28(15-9-10-18-34)36-31(40)29(21-24-22-35-27-14-8-7-13-26(24)27)37-30(39)23-16-19-38(20-17-23)45(42,43)25-11-5-4-6-12-25/h4-8,11-14,22-23,28-29,35H,9-10,15-21,34H2,1-3H3,(H,36,40)(H,37,39)/t28-,29+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 120n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105465
PNG
((4R,8S,11S,17S)-8-(4-Amino-butyl)-17-(2-amino-3-na...)
Show SMILES CC(C)(C)C1N[C@@H](CSSC[C@@H](NC(=O)C(N)Cc2cccc(F)c2)C(=O)NC(Cc2cccnc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C1=O)C(=O)NC(Cc1cccc2ccccc12)C(N)=O
Show InChI InChI=1S/C58H70FN11O7S2/c1-58(2,3)51-50(71)44(22-8-9-23-60)66-55(75)47(29-38-31-64-43-21-7-6-20-41(38)43)69-54(74)46(27-35-14-12-24-63-30-35)68-57(77)49(70-53(73)42(61)26-34-13-10-18-39(59)25-34)33-79-78-32-48(65-51)56(76)67-45(52(62)72)28-37-17-11-16-36-15-4-5-19-40(36)37/h4-7,10-21,24-25,30-31,42,44-49,51,64-65H,8-9,22-23,26-29,32-33,60-61H2,1-3H3,(H2,62,72)(H,66,75)(H,67,76)(H,68,77)(H,69,74)(H,70,73)/t42?,44-,45?,46?,47-,48-,49+,51?/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 270n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105467
PNG
((S)-6-Amino-2-[(S)-2-[(biphenyl-4-carbonyl)-amino]...)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(cc1)-c1ccccc1
Show InChI InChI=1S/C34H40N4O4/c1-34(2,3)42-33(41)29(15-9-10-20-35)37-32(40)30(21-26-22-36-28-14-8-7-13-27(26)28)38-31(39)25-18-16-24(17-19-25)23-11-5-4-6-12-23/h4-8,11-14,16-19,22,29-30,36H,9-10,15,20-21,35H2,1-3H3,(H,37,40)(H,38,39)/t29-,30-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

PubMed
n/an/a 1.20E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105468
PNG
((S)-6-Amino-2-[(R)-2-[(4-benzoyl-piperazine-1-carb...)
Show SMILES CC(C)(C)OC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)N1CCN(CC1)C(=O)c1ccccc1
Show InChI InChI=1S/C33H44N6O5/c1-33(2,3)44-31(42)27(15-9-10-16-34)36-29(40)28(21-24-22-35-26-14-8-7-13-25(24)26)37-32(43)39-19-17-38(18-20-39)30(41)23-11-5-4-6-12-23/h4-8,11-14,22,27-28,35H,9-10,15-21,34H2,1-3H3,(H,36,40)(H,37,43)/t27-,28+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 1.60E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105473
PNG
((S)-2-[(S)-3-(3-Fluoro-phenyl)-2-(toluene-4-sulfon...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(F)c1)-[#7]S(=O)(=O)c1ccc(-[#6])cc1
Show InChI InChI=1S/C23H30FN5O5S/c1-15-8-10-18(11-9-15)35(32,33)29-20(14-16-5-3-6-17(24)13-16)21(30)28-19(22(31)34-2)7-4-12-27-23(25)26/h3,5-6,8-11,13,19-20,29H,4,7,12,14H2,1-2H3,(H,28,30)(H4,25,26,27)/t19-,20-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a>2.00E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Inhibitory concentration of the compound towards binding of sst2 receptor using [125I]-somatostatin as radioligand in Neuro2A cells


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105473
PNG
((S)-2-[(S)-3-(3-Fluoro-phenyl)-2-(toluene-4-sulfon...)
Show SMILES [#6]-[#8]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c1cccc(F)c1)-[#7]S(=O)(=O)c1ccc(-[#6])cc1
Show InChI InChI=1S/C23H30FN5O5S/c1-15-8-10-18(11-9-15)35(32,33)29-20(14-16-5-3-6-17(24)13-16)21(30)28-19(22(31)34-2)7-4-12-27-23(25)26/h3,5-6,8-11,13,19-20,29H,4,7,12,14H2,1-2H3,(H,28,30)(H4,25,26,27)/t19-,20-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 6.50E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM50105471
PNG
((S)-6-Amino-2-((R)-3-(1H-indol-3-yl)-2-{[4-(toluen...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1CCN(CC1)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCN)C(=O)OC(C)(C)C
Show InChI InChI=1S/C33H46N6O6S/c1-23-12-14-25(15-13-23)46(43,44)39-19-17-38(18-20-39)32(42)37-29(21-24-22-35-27-10-6-5-9-26(24)27)30(40)36-28(11-7-8-16-34)31(41)45-33(2,3)4/h5-6,9-10,12-15,22,28-29,35H,7-8,11,16-21,34H2,1-4H3,(H,36,40)(H,37,42)/t28-,29+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem
PubMed
n/an/a 7.70E+3n/an/an/an/an/an/a



Pfizer Inc

Curated by ChEMBL


Assay Description
Antagonistic activity of the compound towards sst2 receptor in GH4C1 cells a concentration of 1-2 x 10e6/mL incubated for 20 minutes


Bioorg Med Chem Lett 11: 2731-4 (2001)


BindingDB Entry DOI: 10.7270/Q2JW8D5S
More data for this
Ligand-Target Pair