| Reaction Details |
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 | Report a problem with these data |
| Target | Chymotrypsinogen B |
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| Ligand | BDBM12657 |
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| Substrate/Competitor | n/a |
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| Meas. Tech. | ChEMBL_49750 (CHEMBL662082) |
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| Ki | >17000±n/a nM |
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| Citation |  Pruitt, JR; Pinto, DJ; Galemmo, RA; Alexander, RS; Rossi, KA; Wells, BL; Drummond, S; Bostrom, LL; Burdick, D; Bruckner, R; Chen, H; Smallwood, A; Wong, PC; Wright, MR; Bai, S; Luettgen, JM; Knabb, RM; Lam, PY; Wexler, RR Discovery of 1-(2-aminomethylphenyl)-3-trifluoromethyl-N- [3-fluoro-2'-(aminosulfonyl)[1,1'-biphenyl)]-4-yl]-1H-pyrazole-5-carboxyamide (DPC602), a potent, selective, and orally bioavailable factor Xa inhibitor(1). J Med Chem46:5298-315 (2003) [PubMed] Article |
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| More Info.: | Get all data from this article, Assay Method |
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| Chymotrypsinogen B |
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| Name: | Chymotrypsinogen B |
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| Synonyms: | A0A2R8YG87_HUMAN | Beta-chymotrypsin | CTRB1 | Chymotrypsin B chain A | Chymotrypsin B chain B | Chymotrypsin B chain C | Chymotrypsinogen B |
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| Type: | PROTEIN |
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| Mol. Mass.: | 27871.19 |
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| Organism: | Homo sapiens (Human) |
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| Description: | ChEMBL_216634 |
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| Residue: | 263 |
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| Sequence: | MAFLWLLSCWALLGTTFGCGVPAIHPVLSGLSRIVNGEDAVPGSWPWQVSLQDKTGFHFC
GGSLISEDWVVTAAHCGVRTSDVVVAGEFDQGSDEENIQVLKIAKVFKNPKFSILTVNND
ITLLKLATPARFSQTVSAVCLPSADDDFPAGTLCATTGWGKTKYNANKTPDKLQQAALPL
LSNAECKKSWGRRITDVMICAGASGVSSCMGDSGGPLVCQKDGAWTLVGIVSWGSDTCST
SSPGVYARVTKLIPWVQKILAAN
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| BDBM12657 |
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| n/a |
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| Name | BDBM12657 |
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| Synonyms: | 1-[3-(Aminomethyl)phenyl]-N-[3-fluoro-2-(methylsulfonyl)-[1,1-biphenyl]-4-yl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | 1-[3-(aminomethyl)phenyl]-N-[2-fluoro-4-(2-methanesulfonylphenyl)phenyl]-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide | CHEMBL559015 | DPC 423 | DPC423 |
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| Type | Small organic molecule |
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| Emp. Form. | C25H20F4N4O3S |
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| Mol. Mass. | 532.51 |
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| SMILES | CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2cc(nn2-c2cccc(CN)c2)C(F)(F)F)c(F)c1 |
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| Structure | 
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