Reaction Details Report a problem with these data
Target
Chymotrypsinogen B
Ligand
BDBM50111604
Substrate
n/a
Meas. Tech.
ChEMBL_49607 (CHEMBL661258)
IC50
15000±n/a nM
Citation
 McGovern, SL; Shoichet, BK Kinase inhibitors: not just for kinases anymore. J Med Chem 46:1478-83 (2003) [PubMed]  Article 
Target
Name:
Chymotrypsinogen B
Synonyms:
A0A2R8YG87_HUMAN | Beta-chymotrypsin | CTRB1 | Chymotrypsin B chain A | Chymotrypsin B chain B | Chymotrypsin B chain C | Chymotrypsinogen B
Type:
PROTEIN
Mol. Mass.:
27871.19
Organism:
Homo sapiens (Human)
Description:
ChEMBL_216634
Residue:
263
Sequence:
MAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFCGGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNNDITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPLLSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSDTCSTSSPGVYARVTKLIPWVQKILAAN
  
Inhibitor
Name:
BDBM50111604
Synonyms:
3-[(4-Phenoxy-phenylamino)-methylene]-3H-isobenzofuran-1-one | 3-[1-(4-Phenoxy-phenylamino)-meth-(Z)-ylidene]-3H-isobenzofuran-1-one | CHEMBL430923
Type:
Small organic molecule
Emp. Form.:
C21H15NO3
Mol. Mass.:
329.3487
SMILES:
Oc1oc(\C=N\c2ccc(Oc3ccccc3)cc2)c2ccccc12
Structure:
Search PDB for entries with ligand similarity: