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BDBM50068071 CHEMBL2370908::SRIF

SMILES: [H][C@]1(NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N)[C@@H](C)O

InChI Key: InChIKey=CQDPKTDIUBNHDF-QBIYFVOFSA-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 = 50068071   
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))
BDBM50068071
PNG
(CHEMBL2370908 | SRIF)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N
Show InChI InChI=1S/C76H104N18O19S2/c1-41(78)64(100)83-37-61(99)84-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-65(101)49(79)26-16-18-30-81-66(102)55(34-47-36-82-50-27-14-13-25-48(47)50)88-69(105)53(32-45-21-9-5-10-22-45)86-68(104)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-67(103)51(85-73(58)109)28-15-17-29-77/h4-14,19-25,27,36,41-43,49,51-59,62-63,82,95-97H,15-18,26,28-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,81,102)(H,83,100)(H,84,99)(H,85,109)(H,86,104)(H,87,106)(H,88,105)(H,89,103)(H,90,110)(H,91,111)(H,92,108)(H,93,101)(H,94,107)(H,112,113)/t41-,42+,43+,49-,51+,52+,53-,54-,55+,56-,57-,58+,59-,62-,63-/m0/s1
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.200n/an/an/an/an/an/an/an/a



Northeast Louisiana University

Curated by ChEMBL


Assay Description
In vitro binding affinity at somatostatin 2 receptor in transfected HEK 293 cell using [125 I]Tyr11-SRIF-14 as radioligand


J Med Chem 41: 4693-705 (1998)


Article DOI: 10.1021/jm980118e
BindingDB Entry DOI: 10.7270/Q2TT4RNG
More data for this
Ligand-Target Pair
Somatostatin receptor type 4


(Homo sapiens (Human))
BDBM50068071
PNG
(CHEMBL2370908 | SRIF)
Show SMILES C[C@@H](O)[C@@H]1NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](Cc2ccccc2)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](CSSC[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(O)=O)NC(=O)CNC(=O)[C@H](C)N
Show InChI InChI=1S/C76H104N18O19S2/c1-41(78)64(100)83-37-61(99)84-58-39-114-115-40-59(76(112)113)92-72(108)57(38-95)91-75(111)63(43(3)97)94-71(107)54(33-46-23-11-6-12-24-46)90-74(110)62(42(2)96)93-65(101)49(79)26-16-18-30-81-66(102)55(34-47-36-82-50-27-14-13-25-48(47)50)88-69(105)53(32-45-21-9-5-10-22-45)86-68(104)52(31-44-19-7-4-8-20-44)87-70(106)56(35-60(80)98)89-67(103)51(85-73(58)109)28-15-17-29-77/h4-14,19-25,27,36,41-43,49,51-59,62-63,82,95-97H,15-18,26,28-35,37-40,77-79H2,1-3H3,(H2,80,98)(H,81,102)(H,83,100)(H,84,99)(H,85,109)(H,86,104)(H,87,106)(H,88,105)(H,89,103)(H,90,110)(H,91,111)(H,92,108)(H,93,101)(H,94,107)(H,112,113)/t41-,42+,43+,49-,51+,52+,53-,54-,55+,56-,57-,58+,59-,62-,63-/m0/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.40n/an/an/an/an/an/an/an/a



Northeast Louisiana University

Curated by ChEMBL


Assay Description
In vitro binding affinity at somatostatin receptor 4 in transfected BHK cells using [125 I]Tyr11-SRIF-14 as radioligand


J Med Chem 41: 4693-705 (1998)


Article DOI: 10.1021/jm980118e
BindingDB Entry DOI: 10.7270/Q2TT4RNG
More data for this
Ligand-Target Pair