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Compile Data Set for Download or QSAR

Found 1 hit Enz. Inhib. hit(s) with Target = 'Neuropilin-1' and Ligand = 'BDBM50453008'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Neuropilin-1


(Homo sapiens (Human))
BDBM50453008
PNG
(CHEMBL4205347)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1cccc(Cc2ccccn2)c1)C(O)=O |r|
Show InChI InChI=1S/C31H32N6O6S2/c32-31(33)35-12-4-8-25(30(39)40)36-29(38)28-24(10-14-44-28)37-45(41,42)26-18-22(17-21-9-13-43-27(21)26)20-6-3-5-19(15-20)16-23-7-1-2-11-34-23/h1-3,5-7,10-11,14-15,17-18,25,37H,4,8-9,12-13,16H2,(H,36,38)(H,39,40)(H4,32,33,35)/t25-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
KEGG
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/a 410n/an/an/an/an/a



NCE Discovery (Domainex Ltd

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal His6-tagged recombinant human NRP1-b1 domain expressed in Escherichia coli Rosetta Gami 2 (DE3) pLysS cells by SPR met...


J Med Chem 61: 4135-4154 (2018)


Article DOI: 10.1021/acs.jmedchem.8b00210
BindingDB Entry DOI: 10.7270/Q2Q81GNK
More data for this
Ligand-Target Pair