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BDBM85229 BIM 23295

SMILES: CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O

InChI Key: InChIKey=ZNQAYSWZHVDWDM-PEHJECIMSA-N

Data: 8 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 85229   
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))
BDBM85229
PNG
(BIM 23295)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O10S2/c1-31(66)46(54(75)63-43(25-33-14-6-3-7-15-33)52(73)64-45(30-77)47(57)68)65-49(70)40(18-10-11-23-55)59-53(74)44(27-35-28-58-39-17-9-8-16-37(35)39)62-51(72)42(26-34-19-21-36(67)22-20-34)61-50(71)41(60-48(69)38(56)29-76)24-32-12-4-2-5-13-32/h2-9,12-17,19-22,28,31,38,40-46,58,66-67,76-77H,10-11,18,23-27,29-30,55-56H2,1H3,(H2,57,68)(H,59,74)(H,60,69)(H,61,71)(H,62,72)(H,63,75)(H,64,73)(H,65,70)/t31?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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0.340n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)


BindingDB Entry DOI: 10.7270/Q22R3Q6B
More data for this
Ligand-Target Pair
SSTR5


(RAT)
BDBM85229
PNG
(BIM 23295)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O10S2/c1-31(66)46(54(75)63-43(25-33-14-6-3-7-15-33)52(73)64-45(30-77)47(57)68)65-49(70)40(18-10-11-23-55)59-53(74)44(27-35-28-58-39-17-9-8-16-37(35)39)62-51(72)42(26-34-19-21-36(67)22-20-34)61-50(71)41(60-48(69)38(56)29-76)24-32-12-4-2-5-13-32/h2-9,12-17,19-22,28,31,38,40-46,58,66-67,76-77H,10-11,18,23-27,29-30,55-56H2,1H3,(H2,57,68)(H,59,74)(H,60,69)(H,61,71)(H,62,72)(H,63,75)(H,64,73)(H,65,70)/t31?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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0.650n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)


BindingDB Entry DOI: 10.7270/Q22R3Q6B
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM85229
PNG
(BIM 23295)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O10S2/c1-31(66)46(54(75)63-43(25-33-14-6-3-7-15-33)52(73)64-45(30-77)47(57)68)65-49(70)40(18-10-11-23-55)59-53(74)44(27-35-28-58-39-17-9-8-16-37(35)39)62-51(72)42(26-34-19-21-36(67)22-20-34)61-50(71)41(60-48(69)38(56)29-76)24-32-12-4-2-5-13-32/h2-9,12-17,19-22,28,31,38,40-46,58,66-67,76-77H,10-11,18,23-27,29-30,55-56H2,1H3,(H2,57,68)(H,59,74)(H,60,69)(H,61,71)(H,62,72)(H,63,75)(H,64,73)(H,65,70)/t31?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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3.36n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)


BindingDB Entry DOI: 10.7270/Q22R3Q6B
More data for this
Ligand-Target Pair
SSTR3


(RAT)
BDBM85229
PNG
(BIM 23295)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O10S2/c1-31(66)46(54(75)63-43(25-33-14-6-3-7-15-33)52(73)64-45(30-77)47(57)68)65-49(70)40(18-10-11-23-55)59-53(74)44(27-35-28-58-39-17-9-8-16-37(35)39)62-51(72)42(26-34-19-21-36(67)22-20-34)61-50(71)41(60-48(69)38(56)29-76)24-32-12-4-2-5-13-32/h2-9,12-17,19-22,28,31,38,40-46,58,66-67,76-77H,10-11,18,23-27,29-30,55-56H2,1H3,(H2,57,68)(H,59,74)(H,60,69)(H,61,71)(H,62,72)(H,63,75)(H,64,73)(H,65,70)/t31?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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5.70n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)


BindingDB Entry DOI: 10.7270/Q22R3Q6B
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM85229
PNG
(BIM 23295)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O10S2/c1-31(66)46(54(75)63-43(25-33-14-6-3-7-15-33)52(73)64-45(30-77)47(57)68)65-49(70)40(18-10-11-23-55)59-53(74)44(27-35-28-58-39-17-9-8-16-37(35)39)62-51(72)42(26-34-19-21-36(67)22-20-34)61-50(71)41(60-48(69)38(56)29-76)24-32-12-4-2-5-13-32/h2-9,12-17,19-22,28,31,38,40-46,58,66-67,76-77H,10-11,18,23-27,29-30,55-56H2,1H3,(H2,57,68)(H,59,74)(H,60,69)(H,61,71)(H,62,72)(H,63,75)(H,64,73)(H,65,70)/t31?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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6.19n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)


BindingDB Entry DOI: 10.7270/Q22R3Q6B
More data for this
Ligand-Target Pair
SSTR2


(RAT)
BDBM85229
PNG
(BIM 23295)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O10S2/c1-31(66)46(54(75)63-43(25-33-14-6-3-7-15-33)52(73)64-45(30-77)47(57)68)65-49(70)40(18-10-11-23-55)59-53(74)44(27-35-28-58-39-17-9-8-16-37(35)39)62-51(72)42(26-34-19-21-36(67)22-20-34)61-50(71)41(60-48(69)38(56)29-76)24-32-12-4-2-5-13-32/h2-9,12-17,19-22,28,31,38,40-46,58,66-67,76-77H,10-11,18,23-27,29-30,55-56H2,1H3,(H2,57,68)(H,59,74)(H,60,69)(H,61,71)(H,62,72)(H,63,75)(H,64,73)(H,65,70)/t31?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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57n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)


BindingDB Entry DOI: 10.7270/Q22R3Q6B
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM85229
PNG
(BIM 23295)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O10S2/c1-31(66)46(54(75)63-43(25-33-14-6-3-7-15-33)52(73)64-45(30-77)47(57)68)65-49(70)40(18-10-11-23-55)59-53(74)44(27-35-28-58-39-17-9-8-16-37(35)39)62-51(72)42(26-34-19-21-36(67)22-20-34)61-50(71)41(60-48(69)38(56)29-76)24-32-12-4-2-5-13-32/h2-9,12-17,19-22,28,31,38,40-46,58,66-67,76-77H,10-11,18,23-27,29-30,55-56H2,1H3,(H2,57,68)(H,59,74)(H,60,69)(H,61,71)(H,62,72)(H,63,75)(H,64,73)(H,65,70)/t31?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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86.8n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)


BindingDB Entry DOI: 10.7270/Q22R3Q6B
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM85229
PNG
(BIM 23295)
Show SMILES CC(O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)C(Cc1ccccc1)NC(=O)C(N)CS)C(=O)NC(Cc1ccccc1)C(=O)NC(CS)C(N)=O
Show InChI InChI=1S/C54H69N11O10S2/c1-31(66)46(54(75)63-43(25-33-14-6-3-7-15-33)52(73)64-45(30-77)47(57)68)65-49(70)40(18-10-11-23-55)59-53(74)44(27-35-28-58-39-17-9-8-16-37(35)39)62-51(72)42(26-34-19-21-36(67)22-20-34)61-50(71)41(60-48(69)38(56)29-76)24-32-12-4-2-5-13-32/h2-9,12-17,19-22,28,31,38,40-46,58,66-67,76-77H,10-11,18,23-27,29-30,55-56H2,1H3,(H2,57,68)(H,59,74)(H,60,69)(H,61,71)(H,62,72)(H,63,75)(H,64,73)(H,65,70)/t31?,38?,40-,41?,42-,43?,44+,45?,46+/m0/s1
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318n/an/an/an/an/an/an/an/a



German Institute of Human Nutrition

Curated by PDSP Ki Database




Rev Physiol Biochem Pharmacol 133: 55-108 (1998)


BindingDB Entry DOI: 10.7270/Q22R3Q6B
More data for this
Ligand-Target Pair