BindingDB PrimarySearch

null

SMILES: O=C1[C@@H]2CCN1c1cccc3ccc(Oc4cc(Cn5cncc5CN2)ccc4C#N)cc13

InChI Key: InChIKey=USPFJPDEADLGIG-QHCPKHFHSA-N

PDB links: 1 PDB ID matches this monomer. 1 PDB ID contains this monomer as substructures. 1 PDB ID contains inhibitors having a similarity of 90% to this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 14009
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14009 ((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	7.5	30
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
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM14009 ((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	1.05E+4	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
AstraZeneca Curated by ChEMBL					More data for this Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14009 ((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB PubMed	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro inhibitory activity to reduce the human farnesyltransferase catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Geranylgeranyl transferase type-1 subunit beta [A2V]/Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha (Homo sapiens (Human))	BDBM14009 ((20S)-19,20,21,22-Tetrahydro-19-oxo-5H-18,20-ethan...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	650	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
Merck Research Laboratories					More data for this Ligand-Target Pair				3D Structure (crystal)