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BDBM82454 L-363,572::N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-D-Thr-N-methyl-D-Phe-)

SMILES: C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O

InChI Key: InChIKey=KOGIHOUQSBXWAB-JMZSSCIBSA-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 = 82454   
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
SSTR3


(MOUSE)
BDBM82454
PNG
(L-363,572 | N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-...)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/m1/s1
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18.9n/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
SSTR3


(MOUSE)
BDBM82454
PNG
(L-363,572 | N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-...)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/m1/s1
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19.1n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 350: 441-53 (1994)


Article DOI: 10.1002/cbic.201402579
BindingDB Entry DOI: 10.7270/Q2XD105R
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM82454
PNG
(L-363,572 | N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-...)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/m1/s1
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25.7n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 350: 441-53 (1994)


Article DOI: 10.1002/cbic.201402579
BindingDB Entry DOI: 10.7270/Q2XD105R
More data for this
Ligand-Target Pair
SSTR2


(MOUSE)
BDBM82454
PNG
(L-363,572 | N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-...)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/m1/s1
UniProtKB/SwissProt

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26n/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)
BDBM82454
PNG
(L-363,572 | N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-...)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/m1/s1
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405n/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
SSTR5


(RAT)
BDBM82454
PNG
(L-363,572 | N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-...)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/m1/s1
UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
Article
PubMed
407n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 350: 441-53 (1994)


Article DOI: 10.1002/cbic.201402579
BindingDB Entry DOI: 10.7270/Q2XD105R
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM82454
PNG
(L-363,572 | N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-...)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/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 44: 385-92 (1993)


BindingDB Entry DOI: 10.7270/Q2X065KZ
More data for this
Ligand-Target Pair
SSTR4


(Mus musculus)
BDBM82454
PNG
(L-363,572 | N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-...)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 350: 441-53 (1994)


Article DOI: 10.1002/cbic.201402579
BindingDB Entry DOI: 10.7270/Q2XD105R
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82454
PNG
(L-363,572 | N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-...)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/m1/s1
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1.00E+3n/an/an/an/an/an/an/an/a



Sandoz Pharma Ltd.

Curated by PDSP Ki Database




Naunyn Schmiedebergs Arch Pharmacol 350: 441-53 (1994)


Article DOI: 10.1002/cbic.201402579
BindingDB Entry DOI: 10.7270/Q2XD105R
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM82454
PNG
(L-363,572 | N-Methylcyclo(D-Ala-D-Phe-D-Trp-L-Lys-...)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@@H](C)N(C)C(=O)[C@@H](Cc2ccccc2)N(C)C1=O
Show InChI InChI=1S/C44H56N8O7/c1-27-39(54)48-35(23-29-15-7-5-8-16-29)41(56)49-36(25-31-26-46-33-20-12-11-19-32(31)33)42(57)47-34(21-13-14-22-45)40(55)50-38(28(2)53)44(59)52(4)37(43(58)51(27)3)24-30-17-9-6-10-18-30/h5-12,15-20,26-28,34-38,46,53H,13-14,21-25,45H2,1-4H3,(H,47,57)(H,48,54)(H,49,56)(H,50,55)/t27-,28+,34+,35-,36-,37-,38-/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