BDBM50038593 CHEMBL301130::Potassium ;2-(1-Carboxymethyl-2-oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepin-3-ylamino)-6-[6-(5-chloro-1-methyl-2-pyridin-3-yl-1H-indol-3-yl)-hexanoylamino]-hexanoic acid
SMILES: Cn1c(c(CCCCCC(=O)NCCCC[C@H](N[C@@H]2CCc3ccccc3N(CC([O-])=O)C2=O)C([O-])=O)c2cc(Cl)ccc12)-c1cccnc1
InChI Key: InChIKey=BOHGZWWCYIGSEX-JSOSNVBQSA-L
Data: 2 IC50
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Thromboxane A2 Synthase (P450 TxA2) (Homo sapiens (Human)) | BDBM50038593 (CHEMBL301130 | Potassium ;2-(1-Carboxymethyl-2-oxo...) | KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Tested for 50% inhibition of thromboxane synthase (TxS) in human platelets (in vitro) | J Med Chem 37: 1823-32 (1994) BindingDB Entry DOI: 10.7270/Q280537C | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Angiotensin-converting enzyme (Oryctolagus cuniculus) | BDBM50038593 (CHEMBL301130 | Potassium ;2-(1-Carboxymethyl-2-oxo...) | MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
CIBA-GEIGY Corporation Curated by ChEMBL | Assay Description Tested for 50% inhibition of Angiotensin converting enzyme(ACE) obtained from rabbit lung (in vitro) | J Med Chem 37: 1823-32 (1994) BindingDB Entry DOI: 10.7270/Q280537C | |||||||||||
More data for this Ligand-Target Pair |