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BDBM84622 BIM 23057

SMILES: CC(C)[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(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O

InChI Key: InChIKey=UTXUNQJCIJXTTP-WMJDRJGJSA-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 = 84622   
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)
BDBM84622
PNG
(BIM 23057)
Show SMILES CC(C)[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(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C62H76ClN11O10/c1-36(2)53(62(84)72-51(31-39-16-8-5-9-17-39)61(83)74-54(37(3)75)55(66)77)73-57(79)48(20-12-13-29-64)68-60(82)52(34-42-35-67-47-19-11-10-18-45(42)47)71-59(81)50(33-41-23-27-44(76)28-24-41)70-58(80)49(32-40-21-25-43(63)26-22-40)69-56(78)46(65)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,67,75-76H,12-13,20,29-34,64-65H2,1-3H3,(H2,66,77)(H,68,82)(H,69,78)(H,70,80)(H,71,81)(H,72,84)(H,73,79)(H,74,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1
UniProtKB/SwissProt

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2.40n/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))
BDBM84622
PNG
(BIM 23057)
Show SMILES CC(C)[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(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C62H76ClN11O10/c1-36(2)53(62(84)72-51(31-39-16-8-5-9-17-39)61(83)74-54(37(3)75)55(66)77)73-57(79)48(20-12-13-29-64)68-60(82)52(34-42-35-67-47-19-11-10-18-45(42)47)71-59(81)50(33-41-23-27-44(76)28-24-41)70-58(80)49(32-40-21-25-43(63)26-22-40)69-56(78)46(65)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,67,75-76H,12-13,20,29-34,64-65H2,1-3H3,(H2,66,77)(H,68,82)(H,69,78)(H,70,80)(H,71,81)(H,72,84)(H,73,79)(H,74,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1
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4.40n/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
SSTR3


(MOUSE)
BDBM84622
PNG
(BIM 23057)
Show SMILES CC(C)[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(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C62H76ClN11O10/c1-36(2)53(62(84)72-51(31-39-16-8-5-9-17-39)61(83)74-54(37(3)75)55(66)77)73-57(79)48(20-12-13-29-64)68-60(82)52(34-42-35-67-47-19-11-10-18-45(42)47)71-59(81)50(33-41-23-27-44(76)28-24-41)70-58(80)49(32-40-21-25-43(63)26-22-40)69-56(78)46(65)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,67,75-76H,12-13,20,29-34,64-65H2,1-3H3,(H2,66,77)(H,68,82)(H,69,78)(H,70,80)(H,71,81)(H,72,84)(H,73,79)(H,74,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1
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4.80n/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)
BDBM84622
PNG
(BIM 23057)
Show SMILES CC(C)[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(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C62H76ClN11O10/c1-36(2)53(62(84)72-51(31-39-16-8-5-9-17-39)61(83)74-54(37(3)75)55(66)77)73-57(79)48(20-12-13-29-64)68-60(82)52(34-42-35-67-47-19-11-10-18-45(42)47)71-59(81)50(33-41-23-27-44(76)28-24-41)70-58(80)49(32-40-21-25-43(63)26-22-40)69-56(78)46(65)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,67,75-76H,12-13,20,29-34,64-65H2,1-3H3,(H2,66,77)(H,68,82)(H,69,78)(H,70,80)(H,71,81)(H,72,84)(H,73,79)(H,74,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1
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8.10n/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 4


(Homo sapiens (Human))
BDBM84622
PNG
(BIM 23057)
Show SMILES CC(C)[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(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C62H76ClN11O10/c1-36(2)53(62(84)72-51(31-39-16-8-5-9-17-39)61(83)74-54(37(3)75)55(66)77)73-57(79)48(20-12-13-29-64)68-60(82)52(34-42-35-67-47-19-11-10-18-45(42)47)71-59(81)50(33-41-23-27-44(76)28-24-41)70-58(80)49(32-40-21-25-43(63)26-22-40)69-56(78)46(65)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,67,75-76H,12-13,20,29-34,64-65H2,1-3H3,(H2,66,77)(H,68,82)(H,69,78)(H,70,80)(H,71,81)(H,72,84)(H,73,79)(H,74,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1
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38.5n/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))
BDBM84622
PNG
(BIM 23057)
Show SMILES CC(C)[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(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C62H76ClN11O10/c1-36(2)53(62(84)72-51(31-39-16-8-5-9-17-39)61(83)74-54(37(3)75)55(66)77)73-57(79)48(20-12-13-29-64)68-60(82)52(34-42-35-67-47-19-11-10-18-45(42)47)71-59(81)50(33-41-23-27-44(76)28-24-41)70-58(80)49(32-40-21-25-43(63)26-22-40)69-56(78)46(65)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,67,75-76H,12-13,20,29-34,64-65H2,1-3H3,(H2,66,77)(H,68,82)(H,69,78)(H,70,80)(H,71,81)(H,72,84)(H,73,79)(H,74,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/m1/s1
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219n/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))
BDBM84622
PNG
(BIM 23057)
Show SMILES CC(C)[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(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C62H76ClN11O10/c1-36(2)53(62(84)72-51(31-39-16-8-5-9-17-39)61(83)74-54(37(3)75)55(66)77)73-57(79)48(20-12-13-29-64)68-60(82)52(34-42-35-67-47-19-11-10-18-45(42)47)71-59(81)50(33-41-23-27-44(76)28-24-41)70-58(80)49(32-40-21-25-43(63)26-22-40)69-56(78)46(65)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,67,75-76H,12-13,20,29-34,64-65H2,1-3H3,(H2,66,77)(H,68,82)(H,69,78)(H,70,80)(H,71,81)(H,72,84)(H,73,79)(H,74,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/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
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM84622
PNG
(BIM 23057)
Show SMILES CC(C)[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(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C62H76ClN11O10/c1-36(2)53(62(84)72-51(31-39-16-8-5-9-17-39)61(83)74-54(37(3)75)55(66)77)73-57(79)48(20-12-13-29-64)68-60(82)52(34-42-35-67-47-19-11-10-18-45(42)47)71-59(81)50(33-41-23-27-44(76)28-24-41)70-58(80)49(32-40-21-25-43(63)26-22-40)69-56(78)46(65)30-38-14-6-4-7-15-38/h4-11,14-19,21-28,35-37,46,48-54,67,75-76H,12-13,20,29-34,64-65H2,1-3H3,(H2,66,77)(H,68,82)(H,69,78)(H,70,80)(H,71,81)(H,72,84)(H,73,79)(H,74,83)/t37-,46-,48+,49+,50+,51+,52-,53+,54+/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