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BDBM144778 US8952128, 35

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)N(CCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)CCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1

InChI Key: InChIKey=BYXGHJZXSWDEAC-HEDYHKRXNA-N

Data: 3 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 3 hits for monomerid = 144778   
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))
BDBM144778
PNG
(US8952128, 35)
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)N(CCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)CCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C95H123N19O10S2/c1-57(115)86-94(124)110-77(45-59-27-29-66(116)30-28-59)87(117)100-34-12-10-26-81(114(38-40-125-55-61-42-70-68-19-13-23-73-84(68)64(51-103-73)48-82(70)112(2)53-61)39-41-126-56-62-43-71-69-20-14-24-74-85(69)65(52-104-74)49-83(71)113(3)54-62)93(123)106-76(25-15-35-101-95(97)98)88(118)107-78(44-58-16-5-4-6-17-58)90(120)108-79(46-60-31-36-99-37-32-60)91(121)109-80(47-63-50-102-72-21-8-7-18-67(63)72)92(122)105-75(89(119)111-86)22-9-11-33-96/h4-8,13-14,16-21,23-24,27-32,36-37,50-52,57,61-62,70-71,75-83,86,102-104,115-116H,9-12,15,22,25-26,33-35,38-49,53-56,96H2,1-3H3,(H,100,117)(H,105,122)(H,106,123)(H,107,118)(H,108,120)(H,109,121)(H,110,124)(H,111,119)(H4,97,98,101)/t57-,61-,62-,70-,71-,75+,76+,77+,78+,79+,80-,81-,82-,83-,86+/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
0.170 -13.3n/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))
BDBM144778
PNG
(US8952128, 35)
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)N(CCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)CCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C95H123N19O10S2/c1-57(115)86-94(124)110-77(45-59-27-29-66(116)30-28-59)87(117)100-34-12-10-26-81(114(38-40-125-55-61-42-70-68-19-13-23-73-84(68)64(51-103-73)48-82(70)112(2)53-61)39-41-126-56-62-43-71-69-20-14-24-74-85(69)65(52-104-74)49-83(71)113(3)54-62)93(123)106-76(25-15-35-101-95(97)98)88(118)107-78(44-58-16-5-4-6-17-58)90(120)108-79(46-60-31-36-99-37-32-60)91(121)109-80(47-63-50-102-72-21-8-7-18-67(63)72)92(122)105-75(89(119)111-86)22-9-11-33-96/h4-8,13-14,16-21,23-24,27-32,36-37,50-52,57,61-62,70-71,75-83,86,102-104,115-116H,9-12,15,22,25-26,33-35,38-49,53-56,96H2,1-3H3,(H,100,117)(H,105,122)(H,106,123)(H,107,118)(H,108,120)(H,109,121)(H,110,124)(H,111,119)(H4,97,98,101)/t57-,61-,62-,70-,71-,75+,76+,77+,78+,79+,80-,81-,82-,83-,86+/s2
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
99.7 -9.54n/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))
BDBM144778
PNG
(US8952128, 35)
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)N(CCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1)CCSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1 |r|
Show InChI InChI=1/C95H123N19O10S2/c1-57(115)86-94(124)110-77(45-59-27-29-66(116)30-28-59)87(117)100-34-12-10-26-81(114(38-40-125-55-61-42-70-68-19-13-23-73-84(68)64(51-103-73)48-82(70)112(2)53-61)39-41-126-56-62-43-71-69-20-14-24-74-85(69)65(52-104-74)49-83(71)113(3)54-62)93(123)106-76(25-15-35-101-95(97)98)88(118)107-78(44-58-16-5-4-6-17-58)90(120)108-79(46-60-31-36-99-37-32-60)91(121)109-80(47-63-50-102-72-21-8-7-18-67(63)72)92(122)105-75(89(119)111-86)22-9-11-33-96/h4-8,13-14,16-21,23-24,27-32,36-37,50-52,57,61-62,70-71,75-83,86,102-104,115-116H,9-12,15,22,25-26,33-35,38-49,53-56,96H2,1-3H3,(H,100,117)(H,105,122)(H,106,123)(H,107,118)(H,108,120)(H,109,121)(H,110,124)(H,111,119)(H4,97,98,101)/t57-,61-,62-,70-,71-,75+,76+,77+,78+,79+,80-,81-,82-,83-,86+/s2
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
345n/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