BDBM189415 US9174974, Comparator 4
SMILES: C[C@H]1COC(=O)Nc2cccc(CNC(=O)C(Nc3ccc4c(N)nccc4c3)c3ccc1cc3)c2
InChI Key: InChIKey=XQDFKGVDOCCXNS-LFUZPPSTSA-N
Data: 7 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 |
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Kallikrein-1 (KLK1) (Homo sapiens (Human)) | BDBM189415 (US9174974, Comparator 4) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Inhibition of purified human tissue kallikrein 1 using H-D-Val-Leu-Arg-AFC as substrate | J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor III/Factor VIIa (fVIIa) (Homo sapiens (Human)) | BDBM189415 (US9174974, Comparator 4) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Inhibition of recombinant human Tissue factor/factor 7a using S2288 as substrate after 30 to 60 mins | J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor VII (Homo sapiens (Human)) | BDBM189415 (US9174974, Comparator 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | >140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Company US Patent | Assay Description FVIIa-Xase Ki (37° C.): S2765 (0.5 mM), PCPS (25 μM), calcium chloride (5 mM), full-length human TF (3 nM), human FVIIa (5 pM), and FVIIa inhibi... | US Patent US9174974 (2015) BindingDB Entry DOI: 10.7270/Q2W37V32 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM189415 (US9174974, Comparator 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 4.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Inhibition of purified human factor 10a using S2765 as substrate after 30 to 60 mins | J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM189415 (US9174974, Comparator 4) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 4.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Inhibition of purified human thrombin after 30 to 60 mins | J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Homo sapiens (Human)) | BDBM189415 (US9174974, Comparator 4) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | >6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Inhibition of purified human trypsin after 30 to 60 mins | J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM189415 (US9174974, Comparator 4) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem Similars | PubMed | 9.10E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Research& Development Curated by ChEMBL | Assay Description Inhibition of purified human factor 11a after 30 to 60 mins | J Med Chem 59: 4007-18 (2016) BindingDB Entry DOI: 10.7270/Q2B56MNP | |||||||||||
More data for this Ligand-Target Pair |