BDBM50066336 (S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide::(S)-1-(2-Amino-2-cyclohexyl-acetyl)-pyrrolidine-2-carboxylic acid 2,5-dichloro-benzylamide::CHEMBL42495
SMILES: N[C@H](C1CCCCC1)C(=O)N1CCC[C@H]1C(=O)NCc1cc(Cl)ccc1Cl
InChI Key: InChIKey=IKGYVUZSXPRLMO-ZWKOTPCHSA-N
Data: 8 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 |
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Prothrombin (Homo sapiens (Human)) | BDBM50066336 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the compound was evaluated on serine protease thrombin. | J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50066336 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of thrombin in human plasma | Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Tissue-type plasminogen activator (Homo sapiens (Human)) | BDBM50066336 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 1.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the compound was evaluated on serine protease TPA. | J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50066336 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the compound was evaluated on serine protease trypsin. | J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin (Homo sapiens (Human)) | BDBM50066336 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of trypsin in human plasma | Bioorg Med Chem Lett 13: 161-4 (2002) BindingDB Entry DOI: 10.7270/Q2348JQ0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-chymotrypsin (Bos taurus (bovine)) | BDBM50066336 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.90E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the compound was evaluated on serine protease Chymotrypsinogen | J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasma kallikrein (Homo sapiens (Human)) | BDBM50066336 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 5.86E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the compound was evaluated on serine protease plasma kallikrein. | J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Plasminogen (Homo sapiens (Human)) | BDBM50066336 ((S)-1-((R)-2-Amino-2-cyclohexyl-acetyl)-pyrrolidin...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 6.91E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Binding affinity of the compound was evaluated on serine protease plasmin. | J Med Chem 41: 3210-9 (1998) Article DOI: 10.1021/jm9801713 BindingDB Entry DOI: 10.7270/Q24Q7T4G | |||||||||||
More data for this Ligand-Target Pair |