Ki Summary BindingDB logo
myBDB logout
Reaction Details
Report a problem with these data
TargetChymotrypsin
LigandBDBM50111603
Substrate/Competitorn/a
Meas. Tech.ChEMBL_49925
IC50 30000±n/a nM
Citation McGovern, SLCaselli, EGrigorieff, NShoichet, BK A common mechanism underlying promiscuous inhibitors from virtual and high-throughput screening. J Med Chem45:1712-22 (2002) [PubMed]  Article
More Info.:Get all data from this article,  Assay Method
 
Chymotrypsin
Name:Chymotrypsin C
Synonyms:Caldecrin | Chymotrypsin C | Chymotrypsin-C
Type:Enzyme
Mol. Mass.:29487.98
Organism:Homo sapiens (Human)
Description:Q99895
Residue:268
Sequence:
MLGITVLAALLACASSCGVPSFPPNLSARVVGGEDARPHSWPWQISLQYLKNDTWRHTCG
GTLIASNFVLTAAHCISNTRTYRVAVGKNNLEVEDEEGSLFVGVDTIHVHKRWNALLLRN
DIALIKLAEHVELSDTIQVACLPEKDSLLPKDYPCYVTGWGRLWTNGPIADKLQQGLQPV
VDHATCSRIDWWGFRVKKTMVCAGGDGVISACNGDSGGPLNCQLENGSWEVFGIVSFGSR
RGCNTRKKPVVYTRVSAYIDWINEKMQL
Blast this sequence in BindingDB or PDB
  Blast E-value cutoff:
BDBM50111603
NameBDBM50111603
Synonyms:3-(4-(dimethylamino)benzylidene)indolin-2-one | 3-(4-Dimethylamino-benzylidene)-1,3-dihydro-indol-2-one | 3-[1-(4-Dimethylamino-phenyl)-meth-(E)-ylidene]-1,3-dihydro-indol-2-one | CHEMBL296455 | SU-4312 | US9422297, DMBI
TypeSmall organic molecule
Emp. Form.C17H16N2O
Mol. Mass.264.3217
SMILESCN(C)c1ccc(\C=C2\C(=O)Nc3ccccc23)cc1
Structure
Search PDB for entries with ligand similarity:Similarity to this molecule at least:
n/a