BDBM50111122 2N-(4-Benzamidinemethyl)-1-[2-Carbamicacidmethylester-3,3-diphenyl-(2R)-propanoyl]-(2S)-tetrahydro-1H-2-pyrrolecarboxamide;TFA::CHEMBL120187
SMILES: COC(=O)N[C@H](C(c1ccccc1)c1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(cc1)C(N)=N
InChI Key: InChIKey=MNSLHONIQQUMSX-AZGAKELHSA-N
Data: 3 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)) | BDBM50111122 (2N-(4-Benzamidinemethyl)-1-[2-Carbamicacidmethyles...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
LG Life Sciences Ltd. Curated by ChEMBL | Assay Description In vitro inhibition constant (Ki) against human thrombin | J Med Chem 46: 3612-22 (2003) Article DOI: 10.1021/jm030025j BindingDB Entry DOI: 10.7270/Q28K79T3 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50111122 (2N-(4-Benzamidinemethyl)-1-[2-Carbamicacidmethyles...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Life Science R&D, LGCI Curated by ChEMBL | Assay Description Binding affinity against human thrombin | Bioorg Med Chem Lett 12: 1017-22 (2002) BindingDB Entry DOI: 10.7270/Q2CV4J9T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Bos taurus (bovine)) | BDBM50111122 (2N-(4-Benzamidinemethyl)-1-[2-Carbamicacidmethyles...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.310 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Life Science R&D, LGCI Curated by ChEMBL | Assay Description Binding affinity against bovine trypsin | Bioorg Med Chem Lett 12: 1017-22 (2002) BindingDB Entry DOI: 10.7270/Q2CV4J9T | |||||||||||
More data for this Ligand-Target Pair |