Reaction Details Report a problem with these data
Target
Chymotrypsinogen B
Ligand
BDBM50072147
Substrate
n/a
Meas. Tech.
ChEMBL_49607 (CHEMBL661258)
IC50
120000±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:
BDBM50072147
Synonyms:
(2Z,3Z)-2,3-bis(amino(2-aminophenylthio)methylene)succinonitrile | 1,4-diamino-2,3-dicyano-1,4-bis(2-aminophenylthio)butadiene | 1,4-diamino-2,3-dicyano-1,4-bis[2-aminophenylthio]butadiene monoethanolate | 2,3-Bis-[1-amino-1-(2-amino-phenylsulfanyl)-meth-(Z)-ylidene]-succinonitrile | 2,3-Bis-[amino-(2-amino-phenylsulfanyl)-methylene]-succinonitrile | 2,3-bis(amino(2-aminophenylthio)methylene)succinonitrile | 2-[1-Amino-1-(2-amino-phenylsulfanyl)-meth-(Z)-ylidene]-3-[1-amino-1-(2-amino-phenylsulfanyl)-meth-(E)-ylidene]-succinonitrile | 2-[Amino-(2-amino-phenylsulfanyl)-methylene]-3-[1-amino-1-(2-amino-phenylsulfanyl)-meth-(Z)-ylidene]-succinonitrile | CHEMBL100473 | CHEMBL95758 | U-0126
Type:
Small organic molecule
Emp. Form.:
C18H16N6S2
Mol. Mass.:
380.49
SMILES:
Nc1ccccc1SC(=N)C(C#N)C(C#N)C(=N)Sc1ccccc1N
Structure:
Search PDB for entries with ligand similarity: