BDBM14018 (17R, 20R)-19,20,21,22-Tetrahydro-19-oxo-17H-15,-17:18,20-diethano-6,10:12,16-dimetheno-16H-imidazo[3,4-h][1,8,11,14]oxatriazacycloeicosine-9-carbonitrile::(1R,2R,5R)-29-oxo-19-oxa-2,6,10,12-tetraazahexacyclo[18.5.2.1^{2,5}.1^{14,18}.0^{8,12}.0^{23,26}]nonacosa-8,10,14(28),15,17,20(27),21,23(26)-octaene-17-carbonitrile::CHEMBL526093::Macrocyclic 3-Aminopyrrolidinone analog 78
SMILES: O=C1[C@H]2CCN1[C@@H]1CCc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13
InChI Key: InChIKey=DFXJFEAHWLUMQK-DHIUTWEWSA-N
Data: 3 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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protein Farnesyltransferase (PFT) (Homo sapiens (Human)) | BDBM14018 ((17R, 20R)-19,20,21,22-Tetrahydro-19-oxo-17H-15,-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | <1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories | Assay Description Compounds were tested as inhibitors of FTase in vitro using purified recombinant human enzyme to catalyze the reaction between [3H]FPP and a recombin... | J Med Chem 45: 2388-409 (2002) Article DOI: 10.1021/jm010531d BindingDB Entry DOI: 10.7270/Q2T72FPK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human)) | BDBM14018 ((17R, 20R)-19,20,21,22-Tetrahydro-19-oxo-17H-15,-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca Curated by ChEMBL | Assay Description Inhibition of human ERG channel | J Med Chem 52: 4266-76 (2009) Article DOI: 10.1021/jm900002x BindingDB Entry DOI: 10.7270/Q2MK6DT2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Geranylgeranyl Transferase (GGTase-I) (Homo sapiens (Human)) | BDBM14018 ((17R, 20R)-19,20,21,22-Tetrahydro-19-oxo-17H-15,-1...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories | Assay Description The enzymatic reaction between [3H]GGPP and a biotinylated peptide was carried out in the presence of 5 mM ATP and varying concentrations of inhibit... | J Med Chem 45: 2388-409 (2002) Article DOI: 10.1021/jm010531d BindingDB Entry DOI: 10.7270/Q2T72FPK | |||||||||||
More data for this Ligand-Target Pair |