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BDBM144774 US8952128, 31::US8952128, 43

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](Cc2ccccc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1

InChI Key: InChIKey=SJBGEHWYHKHGEN-HFYHHFCSNA-N

Data: 3 KI

Find this compound or compounds like it in BindingDB or PDB:
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 144774   
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))
BDBM144774
PNG
(US8952128, 31 | US8952128, 43)
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](Cc2ccccc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1/C87H111N17O11S/c1-53(105)78-86(115)102-71(42-54-20-6-3-7-21-54)79(108)91-38-17-15-29-68(95-49-61(40-57-33-35-62(106)36-34-57)96-76(107)52-116-51-58-41-65-64-27-18-31-67-77(64)60(48-94-67)46-75(65)104(2)50-58)80(109)97-70(32-19-39-92-87(89)90)81(110)99-72(43-55-22-8-4-9-23-55)83(112)100-73(44-56-24-10-5-11-25-56)84(113)101-74(45-59-47-93-66-28-13-12-26-63(59)66)85(114)98-69(82(111)103-78)30-14-16-37-88/h3-13,18,20-28,31,33-36,47-48,53,58,61,65,68-75,78,93-95,105-106H,14-17,19,29-30,32,37-46,49-52,88H2,1-2H3,(H,91,108)(H,96,107)(H,97,109)(H,98,114)(H,99,110)(H,100,112)(H,101,113)(H,102,115)(H,103,111)(H4,89,90,92)/t53-,58-,61+,65-,68+,69+,70+,71+,72+,73+,74-,75-,78+/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
0.510 -12.7n/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 2


(Homo sapiens (Human))
BDBM144774
PNG
(US8952128, 31 | US8952128, 43)
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](Cc2ccccc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1/C87H111N17O11S/c1-53(105)78-86(115)102-71(42-54-20-6-3-7-21-54)79(108)91-38-17-15-29-68(95-49-61(40-57-33-35-62(106)36-34-57)96-76(107)52-116-51-58-41-65-64-27-18-31-67-77(64)60(48-94-67)46-75(65)104(2)50-58)80(109)97-70(32-19-39-92-87(89)90)81(110)99-72(43-55-22-8-4-9-23-55)83(112)100-73(44-56-24-10-5-11-25-56)84(113)101-74(45-59-47-93-66-28-13-12-26-63(59)66)85(114)98-69(82(111)103-78)30-14-16-37-88/h3-13,18,20-28,31,33-36,47-48,53,58,61,65,68-75,78,93-95,105-106H,14-17,19,29-30,32,37-46,49-52,88H2,1-2H3,(H,91,108)(H,96,107)(H,97,109)(H,98,114)(H,99,110)(H,100,112)(H,101,113)(H,102,115)(H,103,111)(H4,89,90,92)/t53-,58-,61+,65-,68+,69+,70+,71+,72+,73+,74-,75-,78+/s2
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
1.07 -12.2n/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))
BDBM144774
PNG
(US8952128, 31 | US8952128, 43)
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](Cc2ccccc2)NC1=O)NC[C@H](Cc1ccc(O)cc1)NC(=O)CSC[C@@H]1C[C@H]2[C@@H](Cc3c[nH]c4cccc2c34)N(C)C1
Show InChI InChI=1/C87H111N17O11S/c1-53(105)78-86(115)102-71(42-54-20-6-3-7-21-54)79(108)91-38-17-15-29-68(95-49-61(40-57-33-35-62(106)36-34-57)96-76(107)52-116-51-58-41-65-64-27-18-31-67-77(64)60(48-94-67)46-75(65)104(2)50-58)80(109)97-70(32-19-39-92-87(89)90)81(110)99-72(43-55-22-8-4-9-23-55)83(112)100-73(44-56-24-10-5-11-25-56)84(113)101-74(45-59-47-93-66-28-13-12-26-63(59)66)85(114)98-69(82(111)103-78)30-14-16-37-88/h3-13,18,20-28,31,33-36,47-48,53,58,61,65,68-75,78,93-95,105-106H,14-17,19,29-30,32,37-46,49-52,88H2,1-2H3,(H,91,108)(H,96,107)(H,97,109)(H,98,114)(H,99,110)(H,100,112)(H,101,113)(H,102,115)(H,103,111)(H4,89,90,92)/t53-,58-,61+,65-,68+,69+,70+,71+,72+,73+,74-,75-,78+/s2
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

US Patent
38.6n/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