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BDBM50453007 CHEMBL4212550

SMILES: NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1Cc1ncc[nH]1)C(O)=O

InChI Key: InChIKey=WGZUJVATZJJXSA-QFIPXVFZSA-N

Data: 1 Kd

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Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50453007   
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
Neuropilin-1


(Homo sapiens (Human))
BDBM50453007
PNG
(CHEMBL4212550)
Show SMILES NC(=N)NCCC[C@H](NC(=O)c1sccc1NS(=O)(=O)c1cc(cc2CCOc12)-c1ccccc1Cc1ncc[nH]1)C(O)=O |r|
Show InChI InChI=1S/C29H31N7O6S2/c30-29(31)34-9-3-6-22(28(38)39)35-27(37)26-21(8-13-43-26)36-44(40,41)23-15-19(14-18-7-12-42-25(18)23)20-5-2-1-4-17(20)16-24-32-10-11-33-24/h1-2,4-5,8,10-11,13-15,22,36H,3,6-7,9,12,16H2,(H,32,33)(H,35,37)(H,38,39)(H4,30,31,34)/t22-/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 1.77E+3n/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