Found 2 hits Enz. Inhib. hit(s) with Target = 'Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha' and Ligand = 'BDBM50139194' Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139194
(CHEMBL345474 | N-(adamantan-2-yl)-10-cyano-23-oxo-...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N |TLB:2:3:5:8.9.7,THB:2:3:6.5.12:8.10.9,7:6:3:8.10.9,7:8:3:6.5.12,10:11:5:8.9.7,10:8:5:3.11.12,(8.51,2.5,;9.26,1.16,;10.81,1.15,;11.58,2.49,;13.07,2.91,;14.48,2.35,;15.5,3.62,;15.51,5.16,;14.1,5.74,;13.07,4.5,;12.75,5.25,;12.77,3.78,;14.1,3.29,;8.47,-.19,;9.24,-1.53,;8.47,-2.86,;6.93,-2.86,;4.87,-5.99,;3.4,-5.55,;3.05,-4.04,;1.57,-3.58,;1.22,-2.09,;-.25,-1.64,;-1.44,-2.62,;-2.73,-1.78,;-2.35,-.29,;-.81,-.19,;-.04,1.14,;1.5,1.14,;2.28,2.48,;3.83,2.48,;4.6,1.14,;6.16,1.14,;6.93,-.19,;6.16,-1.53,;3.83,-.19,;4.63,-1.54,;2.28,-.19,;.45,-4.64,;.79,-6.13,;2.28,-6.59,;2.62,-8.1,;2.95,-9.62,)| Show InChI InChI=1S/C34H36N6O3/c35-14-24-2-1-21-12-31(24)43-29-3-4-30(34(42)37-33-25-8-22-7-23(10-25)11-26(33)9-22)27(13-29)17-39-6-5-38(19-32(39)41)18-28-15-36-20-40(28)16-21/h1-4,12-13,15,20,22-23,25-26,33H,5-11,16-19H2,(H,37,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Inhibition of human Farnesyltransferase -catalyzed incorporation of [3H]-FPP into recombinant Ras-CVIM. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this Ligand-Target Pair | |
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha
(Homo sapiens (Human)) | BDBM50139194
(CHEMBL345474 | N-(adamantan-2-yl)-10-cyano-23-oxo-...)Show SMILES O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2Oc3cc(Cn4cncc4CN4CCN(Cc1c2)C(=O)C4)ccc3C#N |TLB:2:3:5:8.9.7,THB:2:3:6.5.12:8.10.9,7:6:3:8.10.9,7:8:3:6.5.12,10:11:5:8.9.7,10:8:5:3.11.12,(8.51,2.5,;9.26,1.16,;10.81,1.15,;11.58,2.49,;13.07,2.91,;14.48,2.35,;15.5,3.62,;15.51,5.16,;14.1,5.74,;13.07,4.5,;12.75,5.25,;12.77,3.78,;14.1,3.29,;8.47,-.19,;9.24,-1.53,;8.47,-2.86,;6.93,-2.86,;4.87,-5.99,;3.4,-5.55,;3.05,-4.04,;1.57,-3.58,;1.22,-2.09,;-.25,-1.64,;-1.44,-2.62,;-2.73,-1.78,;-2.35,-.29,;-.81,-.19,;-.04,1.14,;1.5,1.14,;2.28,2.48,;3.83,2.48,;4.6,1.14,;6.16,1.14,;6.93,-.19,;6.16,-1.53,;3.83,-.19,;4.63,-1.54,;2.28,-.19,;.45,-4.64,;.79,-6.13,;2.28,-6.59,;2.62,-8.1,;2.95,-9.62,)| Show InChI InChI=1S/C34H36N6O3/c35-14-24-2-1-21-12-31(24)43-29-3-4-30(34(42)37-33-25-8-22-7-23(10-25)11-26(33)9-22)27(13-29)17-39-6-5-38(19-32(39)41)18-28-15-36-20-40(28)16-21/h1-4,12-13,15,20,22-23,25-26,33H,5-11,16-19H2,(H,37,42) | PDB MMDB
Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Patents
Similars
| PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description Displacement of radiolabeled FTI from Farnesyltransferase in cultured Ha-ras transformed RAT1 cells. |
Bioorg Med Chem Lett 14: 639-43 (2004)
BindingDB Entry DOI: 10.7270/Q2WM1CTK |
More data for this Ligand-Target Pair | |