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BDBM84624 BIM 23068

SMILES: C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O

InChI Key: InChIKey=HZUFJLNYZNGZLC-LETDFOQXSA-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 = 84624   
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)
BDBM84624
PNG
(BIM 23068)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O
Show InChI InChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
UniProtKB/SwissProt

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0.150n/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 5


(Homo sapiens (Human))
BDBM84624
PNG
(BIM 23068)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O
Show InChI InChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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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
SSTR3


(MOUSE)
BDBM84624
PNG
(BIM 23068)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O
Show InChI InChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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0.800n/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)
BDBM84624
PNG
(BIM 23068)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O
Show InChI InChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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1.10n/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 3


(Homo sapiens (Human))
BDBM84624
PNG
(BIM 23068)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O
Show InChI InChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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1.54n/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 2


(Homo sapiens (Human))
BDBM84624
PNG
(BIM 23068)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O
Show InChI InChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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1.55n/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 4


(Homo sapiens (Human))
BDBM84624
PNG
(BIM 23068)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O
Show InChI InChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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9.80n/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))
BDBM84624
PNG
(BIM 23068)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O
Show InChI InChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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24n/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))
BDBM84624
PNG
(BIM 23068)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O
Show InChI InChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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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
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84624
PNG
(BIM 23068)
Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=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@H](Cc1ccc(Cl)cc1)NC(=O)[C@H](N)Cc1ccccc1)C(C)O)C(N)=O
Show InChI InChI=1S/C61H74ClN11O11/c1-35(74)52(54(65)77)72-60(83)50(30-38-15-7-4-8-16-38)71-61(84)53(36(2)75)73-56(79)47(19-11-12-28-63)67-59(82)51(33-41-34-66-46-18-10-9-17-44(41)46)70-58(81)49(32-40-22-26-43(76)27-23-40)69-57(80)48(31-39-20-24-42(62)25-21-39)68-55(78)45(64)29-37-13-5-3-6-14-37/h3-10,13-18,20-27,34-36,45,47-53,66,74-76H,11-12,19,28-33,63-64H2,1-2H3,(H2,65,77)(H,67,82)(H,68,78)(H,69,80)(H,70,81)(H,71,84)(H,72,83)(H,73,79)/t35-,36?,45-,47+,48+,49+,50+,51-,52+,53+/m1/s1
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1.00E+3n/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