BDBM10394 12-bromo-7-methyl-4-(1,3,5-trimethyl-1H-pyrazol-4-yl)-4,8-diazatricyclo[7.4.0.0^{2,6}]trideca-1(13),2(6),7,9,11-pentaene-3,5-dione::pyrrolo[3,4-c]quinoline 6t
SMILES: Cc1nn(C)c(C)c1N1C(=O)c2c(C1=O)c1cc(Br)ccc1nc2C
InChI Key: InChIKey=BDSOZOJTMBFQBY-UHFFFAOYSA-N
Data: 1 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 |
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Caspase-3 (Homo sapiens (Human)) | BDBM10394![]() (12-bromo-7-methyl-4-(1,3,5-trimethyl-1H-pyrazol-4-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet ![]() | PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 360 | n/a | n/a | n/a | n/a | n/a | n/a |
Chemical Diversity Research Institute | Assay Description The substrate peptides terminating in AMC are processed by caspases with or without inhibitors. The amount of AMC released was determined by using a ... | Bioorg Med Chem Lett 15: 1841-5 (2005) Article DOI: 10.1016/j.bmcl.2005.02.027 BindingDB Entry DOI: 10.7270/Q2KK991B | |||||||||||
More data for this Ligand-Target Pair |