BDBM50084682 1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-tetrahydro-isoquinoline-7-sulfonylamino)-propionyl]-4-methyl-1,2,3,6-tetrahydro-pyridine-2-carboxylic acid::2'-tert-Butylsulfamoyl-3-methyl-biphenyl-4-carboxylic acid [(R)-4-guanidino-1-((2S,6R)-2,9,9-trimethyl-3,5-dioxa-4-bora-tricyclo[6.1.1.0*2,6*]dec-4-yl)-butyl]-amide::CHEMBL40854
SMILES: Cc1cc(ccc1C(=O)N[C@@H](CCCNC(N)=N)B1O[C@@H]2CC3CC(C3(C)C)[C@]2(C)O1)-c1ccccc1S(=O)(=O)NC(C)(C)C
InChI Key: InChIKey=VOFJPFCXDXPLBO-KEUABWTOSA-N
Data: 4 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50084682 (1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of thrombin | Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50084682 (1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Binding affinity against Thrombin. | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50084682 (1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Queensland Curated by ChEMBL | Assay Description Binding affinity against Trypsin | J Med Chem 43: 305-41 (2000) Checked by Author BindingDB Entry DOI: 10.7270/Q2JD4XH4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50084682 (1-[3-(4-Carbamimidoyl-phenyl)-2-(2-methyl-1,2,3,4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA Curated by ChEMBL | Assay Description Inhibition of trypsin | Bioorg Med Chem Lett 7: 1595-1600 (1997) Article DOI: 10.1016/S0960-894X(97)00254-0 BindingDB Entry DOI: 10.7270/Q2VQ32PJ | |||||||||||
More data for this Ligand-Target Pair |