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Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with Target = 'Somatostatin receptor type 5' and Ligand = 'BDBM85560'   
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 5


(Homo sapiens (Human))
BDBM85560
PNG
(CST14-Tyr10)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O20S2/c1-45(103)67(80(118)95-59(37-48-27-29-50(104)30-28-48)73(111)96-62(41-101)76(114)97-63(42-102)77(115)99-65(44-122)79(117)90-56(81(119)120)25-12-15-33-84)100-70(108)55(24-11-14-32-83)88-74(112)60(38-49-40-87-52-22-9-8-21-51(49)52)93-72(110)58(36-47-19-6-3-7-20-47)91-71(109)57(35-46-17-4-2-5-18-46)92-75(113)61(39-66(85)105)94-69(107)54(23-10-13-31-82)89-78(116)64(43-121)98-68(106)53-26-16-34-86-53/h2-9,17-22,27-30,40,45,53-65,67,86-87,101-104,121-122H,10-16,23-26,31-39,41-44,82-84H2,1H3,(H2,85,105)(H,88,112)(H,89,116)(H,90,117)(H,91,109)(H,92,113)(H,93,110)(H,94,107)(H,95,118)(H,96,111)(H,97,114)(H,98,106)(H,99,115)(H,100,108)(H,119,120)/t45-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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Article
PubMed
0.160n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM85560
PNG
(CST14-Tyr10)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O20S2/c1-45(103)67(80(118)95-59(37-48-27-29-50(104)30-28-48)73(111)96-62(41-101)76(114)97-63(42-102)77(115)99-65(44-122)79(117)90-56(81(119)120)25-12-15-33-84)100-70(108)55(24-11-14-32-83)88-74(112)60(38-49-40-87-52-22-9-8-21-51(49)52)93-72(110)58(36-47-19-6-3-7-20-47)91-71(109)57(35-46-17-4-2-5-18-46)92-75(113)61(39-66(85)105)94-69(107)54(23-10-13-31-82)89-78(116)64(43-121)98-68(106)53-26-16-34-86-53/h2-9,17-22,27-30,40,45,53-65,67,86-87,101-104,121-122H,10-16,23-26,31-39,41-44,82-84H2,1H3,(H2,85,105)(H,88,112)(H,89,116)(H,90,117)(H,91,109)(H,92,113)(H,93,110)(H,94,107)(H,95,118)(H,96,111)(H,97,114)(H,98,106)(H,99,115)(H,100,108)(H,119,120)/t45-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
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Article
PubMed
0.220n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM85560
PNG
(CST14-Tyr10)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O20S2/c1-45(103)67(80(118)95-59(37-48-27-29-50(104)30-28-48)73(111)96-62(41-101)76(114)97-63(42-102)77(115)99-65(44-122)79(117)90-56(81(119)120)25-12-15-33-84)100-70(108)55(24-11-14-32-83)88-74(112)60(38-49-40-87-52-22-9-8-21-51(49)52)93-72(110)58(36-47-19-6-3-7-20-47)91-71(109)57(35-46-17-4-2-5-18-46)92-75(113)61(39-66(85)105)94-69(107)54(23-10-13-31-82)89-78(116)64(43-121)98-68(106)53-26-16-34-86-53/h2-9,17-22,27-30,40,45,53-65,67,86-87,101-104,121-122H,10-16,23-26,31-39,41-44,82-84H2,1H3,(H2,85,105)(H,88,112)(H,89,116)(H,90,117)(H,91,109)(H,92,113)(H,93,110)(H,94,107)(H,95,118)(H,96,111)(H,97,114)(H,98,106)(H,99,115)(H,100,108)(H,119,120)/t45-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
Reactome pathway
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Article
PubMed
2.13n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM85560
PNG
(CST14-Tyr10)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@@H]1CCCN1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](CS)C(=O)N[C@@H](CCCCN)C(O)=O
Show InChI InChI=1S/C81H115N19O20S2/c1-45(103)67(80(118)95-59(37-48-27-29-50(104)30-28-48)73(111)96-62(41-101)76(114)97-63(42-102)77(115)99-65(44-122)79(117)90-56(81(119)120)25-12-15-33-84)100-70(108)55(24-11-14-32-83)88-74(112)60(38-49-40-87-52-22-9-8-21-51(49)52)93-72(110)58(36-47-19-6-3-7-20-47)91-71(109)57(35-46-17-4-2-5-18-46)92-75(113)61(39-66(85)105)94-69(107)54(23-10-13-31-82)89-78(116)64(43-121)98-68(106)53-26-16-34-86-53/h2-9,17-22,27-30,40,45,53-65,67,86-87,101-104,121-122H,10-16,23-26,31-39,41-44,82-84H2,1H3,(H2,85,105)(H,88,112)(H,89,116)(H,90,117)(H,91,109)(H,92,113)(H,93,110)(H,94,107)(H,95,118)(H,96,111)(H,97,114)(H,98,106)(H,99,115)(H,100,108)(H,119,120)/t45-,53+,54+,55+,56+,57+,58+,59+,60+,61+,62+,63+,64+,65+,67+/m1/s1
Reactome pathway
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UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.70n/an/an/an/an/an/an/an/a



Novartis Pharma AG

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 360: 488-99 (1999)


Article DOI: 10.1007/s002109900141
BindingDB Entry DOI: 10.7270/Q2Q23XTW
More data for this
Ligand-Target Pair