BindingDB logo
myBDB logout

null

SMILES: CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccc(CC(O)=O)cc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl

InChI Key: InChIKey=MAPTZXDJFNZNNH-HYHZCSIDSA-N

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 = 428860   
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
Bombesin receptor subtype-3


(Homo sapiens (Human))
BDBM428860
PNG
(US10532048, Example 856)
Show SMILES CS(=O)(=O)N[C@H]1CCCC[C@@H]1N1[C@H]([C@H](C(=O)NOCc2ccc(CC(O)=O)cc2)c2ccccc2C1=O)c1ccc(Cl)cc1Cl |r|
Show InChI InChI=1S/C32H33Cl2N3O7S/c1-45(42,43)36-26-8-4-5-9-27(26)37-30(24-15-14-21(33)17-25(24)34)29(22-6-2-3-7-23(22)32(37)41)31(40)35-44-18-20-12-10-19(11-13-20)16-28(38)39/h2-3,6-7,10-15,17,26-27,29-30,36H,4-5,8-9,16,18H2,1H3,(H,35,40)(H,38,39)/t26-,27-,29+,30-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
US Patent
n/an/a 6.80n/an/an/an/an/an/a



Seldar Pharma Inc.

US Patent


Assay Description
A BB2 receptor binding test was carried out using a membrane sample prepared from a human prostate cancer-derived PC-3 cell. The PC-3 cell was cultur...


US Patent US10532048 (2020)


BindingDB Entry DOI: 10.7270/Q22R3V1R
More data for this
Ligand-Target Pair