BDBM98581 US8476306, 6.6::methyl 2-[[(1R)-2-[[2-[(4-carbamimidoylphenyl)methylamino]-2-oxo-ethyl]amino]-1-(hydroxymethyl)-2-oxo-ethyl]sulfamoylmethyl]benzoate
SMILES: COC(=O)c1ccccc1CS(=O)(=O)N[C@H](CO)C(=O)NCC(=O)NCc1ccc(cc1)C(N)=N
InChI Key: InChIKey=CFTOBJMSXPABSM-GOSISDBHSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Plasminogen activator urokinase (Rattus norvegicus) | BDBM98581 (US8476306, 6.6 | methyl 2-[[(1R)-2-[[2-[(4-carbami...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 83 | -9.62 | n/a | n/a | n/a | n/a | n/a | n/a | 24 |
The Medicines Company US Patent | Assay Description Inhibition constant of the compound against Plasminogen activator urokinase | US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Rattus norvegicus) | BDBM98581 (US8476306, 6.6 | methyl 2-[[(1R)-2-[[2-[(4-carbami...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 400 | -8.69 | n/a | n/a | n/a | n/a | n/a | n/a | 24 |
The Medicines Company US Patent | Assay Description Inhibition constant of the compound against Trypsin | US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Thrombin (Rattus norvegicus) | BDBM98581 (US8476306, 6.6 | methyl 2-[[(1R)-2-[[2-[(4-carbami...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 4.00E+3 | -7.33 | n/a | n/a | n/a | n/a | n/a | n/a | 24 |
The Medicines Company US Patent | Assay Description Inhibition constant of the compound against Thrombin | US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasmin (Rattus norvegicus) | BDBM98581 (US8476306, 6.6 | methyl 2-[[(1R)-2-[[2-[(4-carbami...) | MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | US Patent | 3.80E+4 | -6.01 | n/a | n/a | n/a | n/a | n/a | n/a | 24 |
The Medicines Company US Patent | Assay Description Inhibition constant of the compound against Plasmin | US Patent US8476306 (2013) BindingDB Entry DOI: 10.7270/Q2154FPH | |||||||||||
More data for this Ligand-Target Pair |