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PubMed code 9871736

Compile data set for download or QSAR
Found 4 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


(Homo sapiens (Human))
BDBM50192018
PNG
(CHEMBL3350037)
Show SMILES C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.501n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using [125I][Tyr3]-octreotide radioligand


Bioorg Med Chem Lett 8: 1207-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00187-5
BindingDB Entry DOI: 10.7270/Q2DB834V
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM50215551
PNG
(CHEMBL410194)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C70H98N14O21S2/c1-41(85)59-67(101)78-54(66(100)80-60(42(2)86)68(102)103)40-107-106-39-53(77-62(96)50(31-43-13-7-6-8-14-43)73-55(88)35-81-23-25-82(36-56(89)90)27-29-84(38-58(93)94)30-28-83(26-24-81)37-57(91)92)65(99)75-51(32-44-18-20-46(87)21-19-44)63(97)76-52(33-45-34-72-48-16-10-9-15-47(45)48)64(98)74-49(61(95)79-59)17-11-12-22-71-69(104)105-70(3,4)5/h6-10,13-16,18-21,34,41-42,49-54,59-60,72,85-87H,11-12,17,22-33,35-40H2,1-5H3,(H,71,104)(H,73,88)(H,74,98)(H,75,99)(H,76,97)(H,77,96)(H,78,101)(H,79,95)(H,80,100)(H,89,90)(H,91,92)(H,93,94)(H,102,103)/t41-,42-,49+,50-,51+,52+,53+,54-,59-,60+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using [125I][Tyr3]-octreotide radioligand


Bioorg Med Chem Lett 8: 1207-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00187-5
BindingDB Entry DOI: 10.7270/Q2DB834V
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM50215550
PNG
(CHEMBL407643)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H]1CSSC[C@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)CN2CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)N[C@H]([C@@H](C)O)C(=O)N1)C(O)=O
Show InChI InChI=1S/C70H98N14O20S2/c1-42(85)59-67(100)78-54(66(99)80-60(43(2)86)68(101)102)41-106-105-40-53(77-62(95)50(32-44-16-8-6-9-17-44)73-55(87)36-81-24-26-82(37-56(88)89)28-30-84(39-58(92)93)31-29-83(27-25-81)38-57(90)91)65(98)75-51(33-45-18-10-7-11-19-45)63(96)76-52(34-46-35-72-48-21-13-12-20-47(46)48)64(97)74-49(61(94)79-59)22-14-15-23-71-69(103)104-70(3,4)5/h6-13,16-21,35,42-43,49-54,59-60,72,85-86H,14-15,22-34,36-41H2,1-5H3,(H,71,103)(H,73,87)(H,74,97)(H,75,98)(H,76,96)(H,77,95)(H,78,100)(H,79,94)(H,80,99)(H,88,89)(H,90,91)(H,92,93)(H,101,102)/t42-,43-,49+,50-,51+,52+,53+,54-,59-,60+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.20n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using [125I][Tyr3]-octreotide radioligand


Bioorg Med Chem Lett 8: 1207-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00187-5
BindingDB Entry DOI: 10.7270/Q2DB834V
More data for this
Ligand-Target Pair
Somatostatin receptor


(Homo sapiens (Human))
BDBM50192018
PNG
(CHEMBL3350037)
Show SMILES C[C@@H](O)[C@H](CO)NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](N)Cc2ccccc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1
Show InChI InChI=1S/C49H66N10O10S2/c1-28(61)39(25-60)56-48(68)41-27-71-70-26-40(57-43(63)34(51)21-30-13-5-3-6-14-30)47(67)54-37(22-31-15-7-4-8-16-31)45(65)55-38(23-32-24-52-35-18-10-9-17-33(32)35)46(66)53-36(19-11-12-20-50)44(64)59-42(29(2)62)49(69)58-41/h3-10,13-18,24,28-29,34,36-42,52,60-62H,11-12,19-23,25-27,50-51H2,1-2H3,(H,53,66)(H,54,67)(H,55,65)(H,56,68)(H,57,63)(H,58,69)(H,59,64)/t28-,29-,34-,36+,37+,38-,39+,40+,41+,42+/m1/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1n/an/an/an/an/an/a



Novartis Pharma AG

Curated by ChEMBL


Assay Description
Binding affinity for SSTR2 receptors of rat cortex membranes was determined by using Y-labelled SMT487 radioligand


Bioorg Med Chem Lett 8: 1207-10 (1999)


Article DOI: 10.1016/s0960-894x(98)00187-5
BindingDB Entry DOI: 10.7270/Q2DB834V
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%