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BDBM94268 (1S,3R,3aS,6aR)-3-ethyl-1-[[ethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-4,6-diketo-5-methyl-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester;2,2,2-trifluoroacetic acid::(1S,3R,3aS,6aR)-3-ethyl-1-[[ethyl-(4-methoxyphenyl)sulfonylamino]methyl]-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid methyl ester;2,2,2-trifluoroacetic acid::MLS002477017::SMR001398940::cid_44246811::methyl (1S,3R,3aS,6aR)-3-ethyl-1-[[ethyl-(4-methoxyphenyl)sulfonyl-amino]methyl]-5-methyl-4,6-bis(oxidanylidene)-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-tris(fluoranyl)ethanoic acid::methyl (1S,3R,3aS,6aR)-3-ethyl-1-[[ethyl-(4-methoxyphenyl)sulfonylamino]methyl]-5-methyl-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylate;2,2,2-trifluoroacetic acid

SMILES: CCN(C[C@H]1N[C@](CC)([C@@H]2[C@H]1C(=O)N(C)C2=O)C(=O)OC)S(=O)(=O)c1ccc(OC)cc1

InChI Key: InChIKey=SLWSLGHDKFWGIF-KYFSNAEOSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 94268   
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))
BDBM94268
PNG
((1S,3R,3aS,6aR)-3-ethyl-1-[[ethyl-(4-methoxyphenyl...)
Show SMILES CCN(C[C@H]1N[C@](CC)([C@@H]2[C@H]1C(=O)N(C)C2=O)C(=O)OC)S(=O)(=O)c1ccc(OC)cc1
Show InChI InChI=1S/C21H29N3O7S/c1-6-21(20(27)31-5)17-16(18(25)23(3)19(17)26)15(22-21)12-24(7-2)32(28,29)14-10-8-13(30-4)9-11-14/h8-11,15-17,22H,6-7,12H2,1-5H3/t15-,16+,17-,21-/m1/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
antibodypedia
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