BDBM50037991 CHEMBL325166::NAPSAGATRAN::Ro-46-6240::{[(S)-3-[((S)-1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-cyclopropyl-amino}-acetic acid::{[3-[(1-Carbamimidoyl-piperidin-3-ylmethyl)-carbamoyl]-2-(naphthalene-2-sulfonylamino)-propionyl]-cyclopropyl-amino}-acetic acid(napsagatran(RO46-6240))
SMILES: NC(=N)N1CCC[C@@H](CNC(=O)C[C@H](NS(=O)(=O)c2ccc3ccccc3c2)C(=O)N(CC(O)=O)C2CC2)C1
InChI Key: InChIKey=BYDKEYCXCIVOOV-JTSKRJEESA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Prothrombin (Homo sapiens (Human)) | BDBM50037991 (CHEMBL325166 | NAPSAGATRAN | Ro-46-6240 | {[(S)-3-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PubMed | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description In vitro binding affinity by measuring the inhibition of human thrombin | J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50037991 (CHEMBL325166 | NAPSAGATRAN | Ro-46-6240 | {[(S)-3-...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PubMed | 0.300 | 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 II (Bos taurus) | BDBM50037991 (CHEMBL325166 | NAPSAGATRAN | Ro-46-6240 | {[(S)-3-...) | UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PubMed | 1.90E+3 | 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 (Bos taurus (bovine)) | BDBM50037991 (CHEMBL325166 | NAPSAGATRAN | Ro-46-6240 | {[(S)-3-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PubMed | 1.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche Ltd. Curated by ChEMBL | Assay Description In vitro binding affinity by measuring the inhibition of bovine trypsin | J Med Chem 37: 3889-901 (1994) BindingDB Entry DOI: 10.7270/Q25X29KK | |||||||||||
More data for this Ligand-Target Pair |