BDBM50542733 CHEMBL4646141
SMILES: COc1cccc(C(O)=O)c1OCCc1cc(cc(c1)-c1ccc2OC[C@@H](N)c2c1)C(C)C
InChI Key: InChIKey=KXSZMPGKDDBJRE-HSZRJFAPSA-N
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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Coagulation factor XI (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human F11a using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured after 60 m... | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Coagulation factor XI (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB PubMed | n/a | n/a | 240 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of N-terminal human plasma F11a catalytic domain expressed in Escherichia coli strain BL21(DE3) using D-Leu-Pro-Arg*Rh110-D-Pro as substra... | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Thrombin and coagulation factor VII (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 2.83E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human F7a using fluorescent peptide as substrate by florescence assay | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor IX/VIII (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 1.02E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human F9a using fluorescent peptide as substrate by florescence assay | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Coagulation factor X (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 6.21E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human F10a using fluorescent peptide as substrate by florescence assay | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Complement factor D (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 1.75E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human complement FD by TR-FRET assay | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of PKL (unknown origin) using D-Leu-Pro-Arg*Rh110-D-Pro as substrate preincubated for 60 mins followed by substrate addition and measured ... | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 2.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human tPa using fluorescent peptide as substrate by florescence assay | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 3.08E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human plasmin using fluorescent peptide as substrate by florescence assay | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Urokinase-type plasminogen activator/surface receptor (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human uPA using fluorescent peptide as substrate by florescence assay | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50542733 (CHEMBL4646141) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PubMed | n/a | n/a | 9.09E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Novartis Institutes for BioMedical Research Curated by ChEMBL | Assay Description Inhibition of human thrombin using fluorescent peptide as substrate by florescence assay | J Med Chem 63: 8088-8113 (2020) | |||||||||||
More data for this Ligand-Target Pair |