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BDBM94487 (2S,6S)-6-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylic acid tert-butyl ester::(2S,6S)-6-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1-tosyl-3,6-dihydro-2H-pyridine-5-carboxylic acid tert-butyl ester::MLS003178726::SMR001882521::cid_51359093::tert-butyl (2S,6S)-6-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-1-(4-methylphenyl)sulfonyl-3,6-dihydro-2H-pyridine-5-carboxylate

SMILES: Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccc(Cl)cc1)C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1

InChI Key: InChIKey=JIMFIENWHQCWPQ-SVBPBHIXSA-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 = 94487   
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
Chain A, Crystal Structure Of The B1b2 Domains From Human Neuropilin- 1


(Homo sapiens (Human))
BDBM94487
PNG
((2S,6S)-6-(4-chlorophenyl)-2-(3,4-dichlorophenyl)-...)
Show SMILES Cc1ccc(cc1)S(=O)(=O)N1[C@@H](CC=C([C@@H]1c1ccc(Cl)cc1)C(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C29H28Cl3NO4S/c1-18-5-12-22(13-6-18)38(35,36)33-26(20-9-15-24(31)25(32)17-20)16-14-23(28(34)37-29(2,3)4)27(33)19-7-10-21(30)11-8-19/h5-15,17,26-27H,16H2,1-4H3/t26-,27-/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
PC cid
PC sid
UniChem

Similars

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