BDBM14001 (6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapentacyclo[19.3.1.1^{3,6}.1^{15,19}.0^{9,13}]heptacosa-1(24),9,11,15(26),16,18,21(25),22-octaene-18-carbonitrile::Diastereomer A ( (R,R) or (S,R))::Diastereomer B ( (S,R) or (R,R))::Macrocyclic 3-Aminopyrrolidinone analog 26A::Macrocyclic 3-Aminopyrrolidinone analog 26B

SMILES: O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1

InChI Key: InChIKey=UEBNHTSMTQUOQB-HSLSYKTRSA-N

Data: 6 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 6 hits for monomerid = 14001   

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))	BDBM14001 ((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...) Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r,w:6.7| Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	58	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
					More data for this Ligand-Target Pair
Protein Farnesyltransferase (PFT) (Homo sapiens (Human))	BDBM14001 ((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...) Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r,w:6.7| Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	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
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM14001 ((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...) Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r,w:6.7| Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.90E+3	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))	BDBM14001 ((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...) Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r,w:6.7| Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.80E+3	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
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM14001 ((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...) Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r,w:6.7| Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	320	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))	BDBM14001 ((6R)-27-oxo-2-phenyl-20-oxa-3,7,11,13-tetraazapent...) Show SMILES O=C1[C@H]2CCN1C(c1ccccc1)c1cccc(Oc3cc(Cn4cncc4CN2)ccc3C#N)c1 |r,w:6.7| Show InChI InChI=1S/C29H25N5O2/c30-15-23-10-9-20-13-27(23)36-25-8-4-7-22(14-25)28(21-5-2-1-3-6-21)34-12-11-26(29(34)35)32-17-24-16-31-19-33(24)18-20/h1-10,13-14,16,19,26,28,32H,11-12,17-18H2/t26-,28?/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+3	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