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BDBM50370051 CHEMBL1794043

SMILES: C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc2ccccc2c1

InChI Key: InChIKey=CAOPMDVFFKIBHG-STOOXOMESA-N

Data: 5 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 5 hits for monomerid = 50370051   
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 2


(Homo sapiens (Human))
BDBM50370051
PNG
(CHEMBL1794043)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C60H71N13O9S2/c1-34(74)52-59(81)71-50(56(78)67-46(53(63)75)27-39-30-65-44-17-7-5-15-41(39)44)33-84-83-32-49(70-54(76)43(62)25-35-20-21-37-13-3-4-14-38(37)24-35)57(79)68-47(26-36-12-11-23-64-29-36)55(77)69-48(28-40-31-66-45-18-8-6-16-42(40)45)60(82)73(2)51(58(80)72-52)19-9-10-22-61/h3-8,11-18,20-21,23-24,29-31,34,43,46-52,65-66,74H,9-10,19,22,25-28,32-33,61-62H2,1-2H3,(H2,63,75)(H,67,78)(H,68,79)(H,69,77)(H,70,76)(H,71,81)(H,72,80)/t34-,43?,46?,47?,48+,49-,50+,51-,52+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
27.3n/an/an/an/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-2 receptor expressed on CHO cells


J Med Chem 44: 1305-11 (2001)


Article DOI: 10.1021/jm0005048
BindingDB Entry DOI: 10.7270/Q2Z038VZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 3


(Homo sapiens (Human))
BDBM50370051
PNG
(CHEMBL1794043)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C60H71N13O9S2/c1-34(74)52-59(81)71-50(56(78)67-46(53(63)75)27-39-30-65-44-17-7-5-15-41(39)44)33-84-83-32-49(70-54(76)43(62)25-35-20-21-37-13-3-4-14-38(37)24-35)57(79)68-47(26-36-12-11-23-64-29-36)55(77)69-48(28-40-31-66-45-18-8-6-16-42(40)45)60(82)73(2)51(58(80)72-52)19-9-10-22-61/h3-8,11-18,20-21,23-24,29-31,34,43,46-52,65-66,74H,9-10,19,22,25-28,32-33,61-62H2,1-2H3,(H2,63,75)(H,67,78)(H,68,79)(H,69,77)(H,70,76)(H,71,81)(H,72,80)/t34-,43?,46?,47?,48+,49-,50+,51-,52+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
148n/an/an/an/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-3 receptor expressed on CHO cells


J Med Chem 44: 1305-11 (2001)


Article DOI: 10.1021/jm0005048
BindingDB Entry DOI: 10.7270/Q2Z038VZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM50370051
PNG
(CHEMBL1794043)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C60H71N13O9S2/c1-34(74)52-59(81)71-50(56(78)67-46(53(63)75)27-39-30-65-44-17-7-5-15-41(39)44)33-84-83-32-49(70-54(76)43(62)25-35-20-21-37-13-3-4-14-38(37)24-35)57(79)68-47(26-36-12-11-23-64-29-36)55(77)69-48(28-40-31-66-45-18-8-6-16-42(40)45)60(82)73(2)51(58(80)72-52)19-9-10-22-61/h3-8,11-18,20-21,23-24,29-31,34,43,46-52,65-66,74H,9-10,19,22,25-28,32-33,61-62H2,1-2H3,(H2,63,75)(H,67,78)(H,68,79)(H,69,77)(H,70,76)(H,71,81)(H,72,80)/t34-,43?,46?,47?,48+,49-,50+,51-,52+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
176n/an/an/an/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-5 receptor expressed on CHO cells


J Med Chem 44: 1305-11 (2001)


Article DOI: 10.1021/jm0005048
BindingDB Entry DOI: 10.7270/Q2Z038VZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM50370051
PNG
(CHEMBL1794043)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C60H71N13O9S2/c1-34(74)52-59(81)71-50(56(78)67-46(53(63)75)27-39-30-65-44-17-7-5-15-41(39)44)33-84-83-32-49(70-54(76)43(62)25-35-20-21-37-13-3-4-14-38(37)24-35)57(79)68-47(26-36-12-11-23-64-29-36)55(77)69-48(28-40-31-66-45-18-8-6-16-42(40)45)60(82)73(2)51(58(80)72-52)19-9-10-22-61/h3-8,11-18,20-21,23-24,29-31,34,43,46-52,65-66,74H,9-10,19,22,25-28,32-33,61-62H2,1-2H3,(H2,63,75)(H,67,78)(H,68,79)(H,69,77)(H,70,76)(H,71,81)(H,72,80)/t34-,43?,46?,47?,48+,49-,50+,51-,52+/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-1 receptor expressed on CHO cells


J Med Chem 44: 1305-11 (2001)


Article DOI: 10.1021/jm0005048
BindingDB Entry DOI: 10.7270/Q2Z038VZ
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50370051
PNG
(CHEMBL1794043)
Show SMILES C[C@H](O)[C@H]1NC(=O)[C@H](CCCCN)N(C)C(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)C(Cc2cccnc2)NC(=O)[C@H](CSSC[C@@H](NC1=O)C(=O)NC(Cc1c[nH]c2ccccc12)C(N)=O)NC(=O)C(N)Cc1ccc2ccccc2c1
Show InChI InChI=1S/C60H71N13O9S2/c1-34(74)52-59(81)71-50(56(78)67-46(53(63)75)27-39-30-65-44-17-7-5-15-41(39)44)33-84-83-32-49(70-54(76)43(62)25-35-20-21-37-13-3-4-14-38(37)24-35)57(79)68-47(26-36-12-11-23-64-29-36)55(77)69-48(28-40-31-66-45-18-8-6-16-42(40)45)60(82)73(2)51(58(80)72-52)19-9-10-22-61/h3-8,11-18,20-21,23-24,29-31,34,43,46-52,65-66,74H,9-10,19,22,25-28,32-33,61-62H2,1-2H3,(H2,63,75)(H,67,78)(H,68,79)(H,69,77)(H,70,76)(H,71,81)(H,72,80)/t34-,43?,46?,47?,48+,49-,50+,51-,52+/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.00E+3n/an/an/an/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Ability to displace [125 I]labelled Tyr11-somatostatin from human hsst-4 receptor expressed on CHO cells


J Med Chem 44: 1305-11 (2001)


Article DOI: 10.1021/jm0005048
BindingDB Entry DOI: 10.7270/Q2Z038VZ
More data for this
Ligand-Target Pair