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BDBM349975 (S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-yl)phenyl)acryloyl)-5-(4-methyl-2-oxopiperazin-1-yl)-1,2,3,4-tetrahydroisoquinoline-1-carboxamido)benzoic acid, TFA salt::US10208021, Example 184
SMILES: CN1CCN(C(=O)C1)c1cccc2[C@H](N(CCc12)C(=O)\C=C\c1c(F)c(Cl)ccc1-n1cnnn1)C(=O)Nc1ccc(cc1)C(O)=O
InChI Key: InChIKey=WYFCZWSWFGJODV-MIANJLSGSA-N
Data: 13 KI
| Target/Host (Institution) | Ligand | Target/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 | pH | Temp °C |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Coagulation factor XI (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet  | Purchase PC cid PC sid UniChem | Article PubMed | 0.710 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human factor 11a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor XI (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | US Patent | <5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company US Patent | Assay Description Factor XIa determinations were made in 50 mM HEPES buffer at pH 7.4 containing 145 mM NaCl, 5 mM KCl, and 0.1% PEG 8000 (polyethylene glycol; JT Bake... | US Patent US10208021 (2019) BindingDB Entry DOI: 10.7270/Q2N018P5 | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Plasma kallikrein (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | 310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human plasma kallikrein using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor XII (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human factor 12a using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | >6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human TPA using methylsulfonyl-D-cyclohexylalanyl-Gly-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor X (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | >9.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human factor 10a using N-benzoyl-Ile-Glu-(OH, OMe)-Gly-Arg-pNA as substrate at 25 degC after 10 to 120 mins by spectrophotometric metho... | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Kallikrein 1 (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human tissue kallikrein-1 using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Thrombin and coagulation factor VII (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human factor 7a using H-(D)-Ile-Pro-Arg-pNA as substrate at 25 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Prothrombin (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | >1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human thrombin using pyro-Glu-Pro-Arg-pNA as substrate at 25 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | >1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human urokinase using pyro-Glu Gly-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Vitamin K-dependent protein C (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | >2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human activated protein C using pyro-Glu-Pro-Arg-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Plasminogen (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | >2.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human plasmin using H-(D)-Val-Leu-Lys-pNA as substrate at 37 degC after 10 to 120 mins by spectrophotometric method | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
| Coagulation factor IX (Homo sapiens (Human)) | BDBM349975 ((S,E)-4-(2-(3-(3-chloro-2-fluoro-6-(1H-tetrazol-1-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase PC cid PC sid UniChem | Article PubMed | >2.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company Curated by ChEMBL | Assay Description Inhibition of human factor 9a using methylsulfonyl-D-cyclohexylglycylGly-Arg-AMC as substrate at 37 degC after 10 to 120 mins by spectrophotometric m... | J Med Chem 60: 9703-9723 (2017) Article DOI: 10.1021/acs.jmedchem.7b01171 BindingDB Entry DOI: 10.7270/Q2K64MHN | |||||||||||
| More data for this Ligand-Target Pair | |||||||||||||
