BDBM50164260 (S)-1-(7-Chloro-5-hydroxy-5H-indeno[1,2-b]pyridine-5-carbonyl)-pyrrolidine-2-carboxylic acid 2-aminomethyl-5-chloro-benzylamide::CHEMBL191441
SMILES: NCc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)C1(O)c2cc(Cl)ccc2-c2ncccc12
InChI Key: InChIKey=JOISFXBHQMBJET-CHQVSRGASA-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)) | BDBM50164260 ((S)-1-(7-Chloro-5-hydroxy-5H-indeno[1,2-b]pyridine...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0420 | 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 coagulation factor II (thrombin) of human | J Med Chem 48: 2282-93 (2005) Article DOI: 10.1021/jm049423s BindingDB Entry DOI: 10.7270/Q2BR8RPD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Prothrombin (Homo sapiens (Human)) | BDBM50164260 ((S)-1-(7-Chloro-5-hydroxy-5H-indeno[1,2-b]pyridine...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0420 | 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 coagulation factor II (thrombin) of human | J Med Chem 48: 2282-93 (2005) Article DOI: 10.1021/jm049423s BindingDB Entry DOI: 10.7270/Q2BR8RPD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Trypsin-1 (Homo sapiens (Human)) | BDBM50164260 ((S)-1-(7-Chloro-5-hydroxy-5H-indeno[1,2-b]pyridine...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibitory activity against serine protease trypsin | J Med Chem 48: 2282-93 (2005) Article DOI: 10.1021/jm049423s BindingDB Entry DOI: 10.7270/Q2BR8RPD | |||||||||||
More data for this Ligand-Target Pair |