BDBM50101917 20-oxo-2-oxa-9,11,15,19-tetraazapentacyclo[19.6.2.13,7.09,13.025,29]triaconta-1(28),3,5,7(30),10,12,21(29),22,24,26-decaen-4-yl cyanide::CHEMBL53037

SMILES: O=C1NCCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2

InChI Key: InChIKey=AFXXVFSLJYLSOC-UHFFFAOYSA-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 = 50101917   

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))	BDBM50101917 (20-oxo-2-oxa-9,11,15,19-tetraazapentacyclo[19.6.2....) Show SMILES O=C1NCCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2 Show InChI InChI=1S/C26H23N5O2/c27-13-20-6-5-18-11-25(20)33-22-8-7-19-3-1-4-23(24(19)12-22)26(32)30-10-2-9-28-14-21-15-29-17-31(21)16-18/h1,3-8,11-12,15,17,28H,2,9-10,14,16H2,(H,30,32)	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	2.30	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
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM50101917 (20-oxo-2-oxa-9,11,15,19-tetraazapentacyclo[19.6.2....) Show SMILES O=C1NCCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2 Show InChI InChI=1S/C26H23N5O2/c27-13-20-6-5-18-11-25(20)33-22-8-7-19-3-1-4-23(24(19)12-22)26(32)30-10-2-9-28-14-21-15-29-17-31(21)16-18/h1,3-8,11-12,15,17,28H,2,9-10,14,16H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	890	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
Protein Farnesyltransferase (PFT)/farnesyltransferase beta subunit (Rattus norvegicus-Rattus norvegicus (rat))	BDBM50101917 (20-oxo-2-oxa-9,11,15,19-tetraazapentacyclo[19.6.2....) Show SMILES O=C1NCCCNCc2cncn2Cc2ccc(C#N)c(Oc3ccc4cccc1c4c3)c2 Show InChI InChI=1S/C26H23N5O2/c27-13-20-6-5-18-11-25(20)33-22-8-7-19-3-1-4-23(24(19)12-22)26(32)30-10-2-9-28-14-21-15-29-17-31(21)16-18/h1,3-8,11-12,15,17,28H,2,9-10,14,16H2,(H,30,32)	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	99	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