BDBM50527531 CHEMBL4524402
SMILES: [H][C@@]12CC=CC[C@]1([H])C(=NN(C1CCN(CC1)c1nc(N)nc3ccccc13)C2=O)c1ccc(OC)c(OC)c1
InChI Key: InChIKey=SEVYDVWEYJOUSZ-LEWJYISDSA-N
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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
3',5'-cyclic phosphodiesterase (Homo sapiens (Human)) | BDBM50527531 (CHEMBL4524402) | PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 0.155 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp Curated by ChEMBL | Assay Description Inhibition of human PDE4D2 expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP phosphodiesterase Kit based | J Med Chem 63: 3485-3507 (2020) Article DOI: 10.1021/acs.jmedchem.9b00985 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Class I phosphodiesterase B1 (TbrPDEB1) (Trypanosoma brucei) | BDBM50527531 (CHEMBL4524402) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | PDB Article PubMed | 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Antwerp Curated by ChEMBL | Assay Description Inhibition of Trypanosoma brucei PDEB1 (565 to 918 residues) expressed in Escherichia coli BL21 (DE3) using cAMP as substrate by PDELight HTS cAMP ph... | J Med Chem 63: 3485-3507 (2020) Article DOI: 10.1021/acs.jmedchem.9b00985 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |