BindingDB logo
myBDB logout

BDBM50222716 CHEMBL2371535

SMILES: [H][C@]1(NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](CSSC[C@@H](NC1=O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCC)NC(=O)[C@@H](CO)NC(=O)CN(CCN)C(=O)Oc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OC)[C@@H](C)O

InChI Key: InChIKey=KFGZMVCLOTYVJM-RKUUOQTOSA-N

Data: 1 IC50

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 1 hit for monomerid = 50222716   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Somatostatin receptor


(Homo sapiens (Human))
BDBM50222716
PNG
(CHEMBL2371535)
Show SMILES CCCC[C@H](NC(=O)[C@@H](CO)NC(=O)CN(CCN)C(=O)Oc1cc(\C=C/c2cc(OC)c(OC)c(OC)c2)ccc1OC)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)N[C@H](CO)C(=O)N[C@@H]1CSSC[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)[C@@H](C)O)C(=O)N[C@@H]([C@@H](C)O)C(N)=O
Show InChI InChI=1S/C83H110N16O23S2/c1-8-9-19-55(90-78(112)60(41-100)88-68(105)40-99(32-31-85)83(117)122-65-35-49(26-29-64(65)118-4)22-23-50-36-66(119-5)71(121-7)67(37-50)120-6)73(107)91-58(34-48-24-27-52(104)28-25-48)76(110)94-61(42-101)79(113)95-62-43-123-124-44-63(81(115)97-69(45(2)102)72(86)106)96-82(116)70(46(3)103)98-74(108)56(21-15-30-84)89-77(111)59(38-51-39-87-54-20-14-13-18-53(51)54)93-75(109)57(92-80(62)114)33-47-16-11-10-12-17-47/h10-14,16-18,20,22-29,35-37,39,45-46,55-63,69-70,87,100-104H,8-9,15,19,21,30-34,38,40-44,84-85H2,1-7H3,(H2,86,106)(H,88,105)(H,89,111)(H,90,112)(H,91,107)(H,92,114)(H,93,109)(H,94,110)(H,95,113)(H,96,116)(H,97,115)(H,98,108)/b23-22-/t45-,46-,55+,56+,57+,58-,59-,60-,61-,62-,63-,69+,70+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
antibodypedia
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
CHEMBL
KEGG
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 2.80n/an/an/an/an/an/a



Tulane University Health Sciences Center

Curated by ChEMBL


Assay Description
Cytotoxic activity against human neuroblastoma IMR32 cells which over-express somatostatin receptors


Bioorg Med Chem Lett 13: 799-803 (2003)


Article DOI: 10.1016/s0960-894x(03)00016-7
BindingDB Entry DOI: 10.7270/Q2JH3PC3
More data for this
Ligand-Target Pair