BDBM50101911 16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazapentacyclo[17.6.2.13,7.09,13.023,27]octacosa-1(26),3,5,7(28),10,12,19(27),20,22,24-decaen-4-yl cyanide::CHEMBL298895

SMILES: C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2

InChI Key: InChIKey=AHPUIZQTTZGXBJ-MRXNPFEDSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50101911   

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))	BDBM50101911 (16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...) Show SMILES C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2 Show InChI InChI=1S/C25H21N5O2/c1-16-25(31)29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)14-30-15-27-12-20(30)13-28-16/h2-10,12,15-16,28H,13-14H2,1H3,(H,29,31)/t16-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.30	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
					More data for this Ligand-Target Pair				3D Structure (docked)
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50101911 (16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...) Show SMILES C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2 Show InChI InChI=1S/C25H21N5O2/c1-16-25(31)29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)14-30-15-27-12-20(30)13-28-16/h2-10,12,15-16,28H,13-14H2,1H3,(H,29,31)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	23	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description In vitro ability of the compound to displace radiolabelled FTI from farnesyltransferase in cultured Ha-ras transformed RAT1 cells				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50101911 (16-methyl-17-oxo-(16R)-2-oxa-9,11,15,18-tetraazape...) Show SMILES C[C@H]1NCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc(NC1=O)c4c3)c2 Show InChI InChI=1S/C25H21N5O2/c1-16-25(31)29-23-4-2-3-18-7-8-21(10-22(18)23)32-24-9-17(5-6-19(24)11-26)14-30-15-27-12-20(30)13-28-16/h2-10,12,15-16,28H,13-14H2,1H3,(H,29,31)/t16-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	313	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 geranylgeranyl transferase type I (GGPTase-1)-catalyzed incorporation of 3H GGPP (100 nM) into K-Ras...				Bioorg Med Chem Lett 11: 1817-21 (2001) BindingDB Entry DOI: 10.7270/Q2R210PG
					More data for this Ligand-Target Pair