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BDBM94158 MLS000572884::N-[(Z)-1-(2-furfurylcarbamoyl)-2-(3-methyl-2-thienyl)vinyl]-4-methyl-benzamide::N-[(Z)-3-(2-furanylmethylamino)-1-(3-methyl-2-thiophenyl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-[(Z)-3-(furan-2-ylmethylamino)-1-(3-methylthiophen-2-yl)-3-oxidanylidene-prop-1-en-2-yl]-4-methyl-benzamide::N-[(Z)-3-(furan-2-ylmethylamino)-1-(3-methylthiophen-2-yl)-3-oxoprop-1-en-2-yl]-4-methylbenzamide::N-[1-{[(2-furylmethyl)amino]carbonyl}-2-(3-methyl-2-thienyl)vinyl]-4-methylbenzamide::SMR000194521::cid_5349498

SMILES: Cc1ccsc1\C=C(/NC(=O)c1ccc(C)cc1)C(=O)NCc1ccco1

InChI Key: InChIKey=PERIUFWDODLIMS-PDGQHHTCSA-N

Data: 1 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 94158   
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
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens (Human))
BDBM94158
PNG
(MLS000572884 | N-[(Z)-1-(2-furfurylcarbamoyl)-2-(3...)
Show SMILES Cc1ccsc1\C=C(/NC(=O)c1ccc(C)cc1)C(=O)NCc1ccco1
Show InChI InChI=1S/C21H20N2O3S/c1-14-5-7-16(8-6-14)20(24)23-18(12-19-15(2)9-11-27-19)21(25)22-13-17-4-3-10-26-17/h3-12H,13H2,1-2H3,(H,22,25)(H,23,24)/b18-12-
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
Purchase

PC cid
PC sid
UniChem
PCBioAssay
n/an/a>9.50E+4n/an/an/an/an/an/a



Burnham Center for Chemical Genomics

Curated by PubChem BioAssay




PubChem Bioassay (2012)


BindingDB Entry DOI: 10.7270/Q2HM5725
More data for this
Ligand-Target Pair