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BDBM84630 BIM 23060

SMILES: CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1

InChI Key: InChIKey=WVMBVVRMFHGKTH-UHFFFAOYSA-N

Data: 10 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 10 hits for monomerid = 84630   
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
SSTR2


(MOUSE)
BDBM84630
PNG
(BIM 23060)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
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0.0100n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
SSTR4


(RAT)
BDBM84630
PNG
(BIM 23060)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
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0.0900n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 44: 385-92 (1993)


BindingDB Entry DOI: 10.7270/Q2X065KZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 2


(Homo sapiens (Human))
BDBM84630
PNG
(BIM 23060)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
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0.710n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM84630
PNG
(BIM 23060)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
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2.40n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM84630
PNG
(BIM 23060)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
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14.6n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
SSTR3


(MOUSE)
BDBM84630
PNG
(BIM 23060)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
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17.4n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM84630
PNG
(BIM 23060)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
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56n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84630
PNG
(BIM 23060)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
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61n/an/an/an/an/an/an/an/a



McGill University

Curated by PDSP Ki Database




Endocrinology 135: 2814-7 (1994)


Article DOI: 10.1210/endo.135.6.7988476
BindingDB Entry DOI: 10.7270/Q2959G27
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM84630
PNG
(BIM 23060)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
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1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 44: 385-92 (1993)


BindingDB Entry DOI: 10.7270/Q2X065KZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84630
PNG
(BIM 23060)
Show SMILES CC(O)C1NC(=O)C(CCCCN)NC(=O)C(Cc2c[nH]c3ccccc23)NC(=O)C(Cc2ccc(O)cc2)NC(=O)C(CSSCC(NC1=O)C(=O)NCc1cccc2ccccc12)NC(=O)C(N)Cc1ccccc1
Show InChI InChI=1S/C56H66N10O9S2/c1-33(67)49-56(75)65-47(51(70)60-29-37-16-11-15-36-14-5-6-17-40(36)37)31-76-77-32-48(64-50(69)42(58)26-34-12-3-2-4-13-34)55(74)62-45(27-35-21-23-39(68)24-22-35)53(72)63-46(28-38-30-59-43-19-8-7-18-41(38)43)54(73)61-44(52(71)66-49)20-9-10-25-57/h2-8,11-19,21-24,30,33,42,44-49,59,67-68H,9-10,20,25-29,31-32,57-58H2,1H3,(H,60,70)(H,61,73)(H,62,74)(H,63,72)(H,64,69)(H,65,75)(H,66,71)
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1.00E+3n/an/an/an/an/an/an/an/a



University of Pennsylvania

Curated by PDSP Ki Database




Mol Pharmacol 43: 838-44 (1993)


BindingDB Entry DOI: 10.7270/Q21N7ZN7
More data for this
Ligand-Target Pair