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BDBM254024 Preparation of chiral 4-[[(2'R,3R,3'S,5'S)-6-chloro-3'-(3-chloro-2-fluoro-phenyl)-5'-[[1-(fluoromethyl)cyclopropyl]methyl]-2-oxo-spiro[indoline-3,4'-pyrrolidine]-2'-carbonyl]amino]-3-methoxy-benzoic acid::US9701685, 76

SMILES: COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC2(CF)CC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21)C(O)=O

InChI Key: InChIKey=NTXATSJNATTZSH-ISKXDESKSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 254024   
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
Casein kinase I/MDM2


(Homo sapiens (human))
BDBM254024
PNG
(Preparation of chiral 4-[[(2'R,3R,3'S,5'S)-6-chlor...)
Show SMILES COc1cc(ccc1NC(=O)[C@@H]1N[C@@H](CC2(CF)CC2)[C@]2([C@H]1c1cccc(Cl)c1F)C(=O)Nc1cc(Cl)ccc21)C(O)=O
Show InChI InChI=1S/C31H27Cl2F2N3O5/c1-43-22-11-15(28(40)41)5-8-20(22)36-27(39)26-24(17-3-2-4-19(33)25(17)35)31(23(38-26)13-30(14-34)9-10-30)18-7-6-16(32)12-21(18)37-29(31)42/h2-8,11-12,23-24,26,38H,9-10,13-14H2,1H3,(H,36,39)(H,37,42)(H,40,41)/t23-,24-,26+,31+/m0/s1
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
US Patent
n/an/a 7.20n/an/an/an/a7.425



Hudson Biopharma Inc.

US Patent


Assay Description
Test compounds (12.34 uM stock in DMSO) were diluted three fold in series in DMSO and 2 ul per well were added into 384-well polypropylene plates (Ma...


US Patent US9701685 (2017)

More data for this
Ligand-Target Pair