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BDBM144772 US8952128, 29A

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](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NCCCN(C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O

InChI Key: InChIKey=JTNWBETZFAYPGW-CIEPUTMDNA-N

Data: 2 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 2 hits for monomerid = 144772   
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))
BDBM144772
PNG
(US8952128, 29A)
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](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NCCCN(C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O |r|
Show InChI InChI=1/C81H106FN17O10/c1-49(100)72-80(109)96-66(42-53-30-32-57(82)33-31-53)73(102)87-35-15-13-26-63(86-37-18-38-99(50(2)101)48-54-39-60-59-24-16-28-62-71(59)56(46-90-62)44-70(60)98(3)47-54)74(103)91-65(29-17-36-88-81(84)85)75(104)93-67(40-51-19-6-4-7-20-51)77(106)94-68(41-52-21-8-5-9-22-52)78(107)95-69(43-55-45-89-61-25-11-10-23-58(55)61)79(108)92-64(76(105)97-72)27-12-14-34-83/h4-11,16,19-25,28,30-33,45-46,49,54,60,63-70,72,86,89-90,100H,12-15,17-18,26-27,29,34-44,47-48,83H2,1-3H3,(H,87,102)(H,91,103)(H,92,108)(H,93,104)(H,94,106)(H,95,107)(H,96,109)(H,97,105)(H4,84,85,88)/t49-,54-,60-,63-,64+,65+,66+,67+,68+,69-,70-,72+/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.130 -13.5n/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))
BDBM144772
PNG
(US8952128, 29A)
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](Cc2ccccc2)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](CCCCNC(=O)[C@H](Cc2ccc(F)cc2)NC1=O)NCCCN(C[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)C(C)=O |r|
Show InChI InChI=1/C81H106FN17O10/c1-49(100)72-80(109)96-66(42-53-30-32-57(82)33-31-53)73(102)87-35-15-13-26-63(86-37-18-38-99(50(2)101)48-54-39-60-59-24-16-28-62-71(59)56(46-90-62)44-70(60)98(3)47-54)74(103)91-65(29-17-36-88-81(84)85)75(104)93-67(40-51-19-6-4-7-20-51)77(106)94-68(41-52-21-8-5-9-22-52)78(107)95-69(43-55-45-89-61-25-11-10-23-58(55)61)79(108)92-64(76(105)97-72)27-12-14-34-83/h4-11,16,19-25,28,30-33,45-46,49,54,60,63-70,72,86,89-90,100H,12-15,17-18,26-27,29,34-44,47-48,83H2,1-3H3,(H,87,102)(H,91,103)(H,92,108)(H,93,104)(H,94,106)(H,95,107)(H,96,109)(H,97,105)(H4,84,85,88)/t49-,54-,60-,63-,64+,65+,66+,67+,68+,69-,70-,72+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
46.8n/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