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BDBM144766 US8952128, 25

SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1

InChI Key: InChIKey=DDZQSWIRTNPRHD-BIZCZIQTNA-N

Data: 4 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 4 hits for monomerid = 144766   
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))
BDBM144766
PNG
(US8952128, 25)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C77H99N17O11S/c1-45(95)68-76(105)92-61(36-47-23-25-52(96)26-24-47)69(98)82-30-11-9-20-58(86-66(97)44-106-43-49-34-55-54-17-12-21-57-67(54)51(41-85-57)39-65(55)94(2)42-49)70(99)87-60(22-13-31-83-77(79)80)71(100)89-62(35-46-14-4-3-5-15-46)73(102)90-63(37-48-27-32-81-33-28-48)74(103)91-64(38-50-40-84-56-18-7-6-16-53(50)56)75(104)88-59(72(101)93-68)19-8-10-29-78/h3-7,12,14-18,21,23-28,32-33,40-41,45,49,55,58-65,68,84-85,95-96H,8-11,13,19-20,22,29-31,34-39,42-44,78H2,1-2H3,(H,82,98)(H,86,97)(H,87,99)(H,88,104)(H,89,100)(H,90,102)(H,91,103)(H,92,105)(H,93,101)(H4,79,80,83)/t45-,49-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.0500 -14.0n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 5


(Homo sapiens (Human))
BDBM144766
PNG
(US8952128, 25)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C77H99N17O11S/c1-45(95)68-76(105)92-61(36-47-23-25-52(96)26-24-47)69(98)82-30-11-9-20-58(86-66(97)44-106-43-49-34-55-54-17-12-21-57-67(54)51(41-85-57)39-65(55)94(2)42-49)70(99)87-60(22-13-31-83-77(79)80)71(100)89-62(35-46-14-4-3-5-15-46)73(102)90-63(37-48-27-32-81-33-28-48)74(103)91-64(38-50-40-84-56-18-7-6-16-53(50)56)75(104)88-59(72(101)93-68)19-8-10-29-78/h3-7,12,14-18,21,23-28,32-33,40-41,45,49,55,58-65,68,84-85,95-96H,8-11,13,19-20,22,29-31,34-39,42-44,78H2,1-2H3,(H,82,98)(H,86,97)(H,87,99)(H,88,104)(H,89,100)(H,90,102)(H,91,103)(H,92,105)(H,93,101)(H4,79,80,83)/t45-,49-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/s2
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US Patent
0.950 -12.3n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 1


(Homo sapiens (Human))
BDBM144766
PNG
(US8952128, 25)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C77H99N17O11S/c1-45(95)68-76(105)92-61(36-47-23-25-52(96)26-24-47)69(98)82-30-11-9-20-58(86-66(97)44-106-43-49-34-55-54-17-12-21-57-67(54)51(41-85-57)39-65(55)94(2)42-49)70(99)87-60(22-13-31-83-77(79)80)71(100)89-62(35-46-14-4-3-5-15-46)73(102)90-63(37-48-27-32-81-33-28-48)74(103)91-64(38-50-40-84-56-18-7-6-16-53(50)56)75(104)88-59(72(101)93-68)19-8-10-29-78/h3-7,12,14-18,21,23-28,32-33,40-41,45,49,55,58-65,68,84-85,95-96H,8-11,13,19-20,22,29-31,34-39,42-44,78H2,1-2H3,(H,82,98)(H,86,97)(H,87,99)(H,88,104)(H,89,100)(H,90,102)(H,91,103)(H,92,105)(H,93,101)(H4,79,80,83)/t45-,49-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
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PC cid
PC sid
UniChem
US Patent
41.9 -10.1n/an/an/an/an/a7.625



Ipsen Pharma S.A.S.

US Patent


Assay Description
Membranes for in vitro receptor binding assays were obtained by the following procedures. CHO-K1 cells expressing one of the somatostatin receptors w...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair
D(2) dopamine receptor


(Homo sapiens (Human))
BDBM144766
PNG
(US8952128, 25)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccncc2)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(O)cc2)NC1=O)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C77H99N17O11S/c1-45(95)68-76(105)92-61(36-47-23-25-52(96)26-24-47)69(98)82-30-11-9-20-58(86-66(97)44-106-43-49-34-55-54-17-12-21-57-67(54)51(41-85-57)39-65(55)94(2)42-49)70(99)87-60(22-13-31-83-77(79)80)71(100)89-62(35-46-14-4-3-5-15-46)73(102)90-63(37-48-27-32-81-33-28-48)74(103)91-64(38-50-40-84-56-18-7-6-16-53(50)56)75(104)88-59(72(101)93-68)19-8-10-29-78/h3-7,12,14-18,21,23-28,32-33,40-41,45,49,55,58-65,68,84-85,95-96H,8-11,13,19-20,22,29-31,34-39,42-44,78H2,1-2H3,(H,82,98)(H,86,97)(H,87,99)(H,88,104)(H,89,100)(H,90,102)(H,91,103)(H,92,105)(H,93,101)(H4,79,80,83)/t45-,49-,55-,58-,59+,60+,61+,62+,63+,64-,65-,68+/s2
Reactome pathway
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UniProtKB/SwissProt

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US Patent
272n/an/an/an/an/an/a7.6n/a



Ipsen Pharma S.A.S.

US Patent


Assay Description
The affinity of a test compound for the human dopamine receptor subtype hDRD2 was determined by radioligand binding assays in CHO-K1 cells stably tra...


US Patent US8952128 (2015)


BindingDB Entry DOI: 10.7270/Q2057DNG
More data for this
Ligand-Target Pair