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BDBM50285841 CHEMBL262383::Pseudopeptide derivative

SMILES: CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(CCSSCCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCSC)C(O)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(O)=O

InChI Key: InChIKey=TXXSJMWGQZWTQV-ZQWQDMLBSA-N

Data: 3 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50285841   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Homo sapiens (Human))
BDBM50285841
PNG
(CHEMBL262383 | Pseudopeptide derivative)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(CCSSCCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCSC)C(O)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C48H68N6O12S4/c1-47(2,3)65-45(63)51(29-39(55)53-27-33-15-11-9-13-31(33)25-37(53)41(57)49-35(43(59)60)17-21-67-7)19-23-69-70-24-20-52(46(64)66-48(4,5)6)30-40(56)54-28-34-16-12-10-14-32(34)26-38(54)42(58)50-36(44(61)62)18-22-68-8/h9-16,35-38H,17-30H2,1-8H3,(H,49,57)(H,50,58)(H,59,60)(H,61,62)/t35-,36-,37-,38-/m0/s1
PDB
MMDB

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KEGG

UniProtKB/SwissProt

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antibodypedia
GoogleScholar
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KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibition of farnesyl transferase


Bioorg Med Chem Lett 5: 2677-2682 (1995)


Article DOI: 10.1016/0960-894X(95)00482-9
BindingDB Entry DOI: 10.7270/Q2QC03GF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50285841
PNG
(CHEMBL262383 | Pseudopeptide derivative)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(CCSSCCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCSC)C(O)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C48H68N6O12S4/c1-47(2,3)65-45(63)51(29-39(55)53-27-33-15-11-9-13-31(33)25-37(53)41(57)49-35(43(59)60)17-21-67-7)19-23-69-70-24-20-52(46(64)66-48(4,5)6)30-40(56)54-28-34-16-12-10-14-32(34)26-38(54)42(58)50-36(44(61)62)18-22-68-8/h9-16,35-38H,17-30H2,1-8H3,(H,49,57)(H,50,58)(H,59,60)(H,61,62)/t35-,36-,37-,38-/m0/s1
PDB

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UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
In vitro inhibiion of bovine farnesyl transferase


Bioorg Med Chem Lett 5: 2677-2682 (1995)


Article DOI: 10.1016/0960-894X(95)00482-9
BindingDB Entry DOI: 10.7270/Q2QC03GF
More data for this
Ligand-Target Pair
Protein farnesyltransferase subunit beta/geranylgeranyltransferase type-1 subunit alpha


(Mus musculus)
BDBM50285841
PNG
(CHEMBL262383 | Pseudopeptide derivative)
Show SMILES CSCC[C@H](NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)CN(CCSSCCN(CC(=O)N1Cc2ccccc2C[C@H]1C(=O)N[C@@H](CCSC)C(O)=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(O)=O
Show InChI InChI=1S/C48H68N6O12S4/c1-47(2,3)65-45(63)51(29-39(55)53-27-33-15-11-9-13-31(33)25-37(53)41(57)49-35(43(59)60)17-21-67-7)19-23-69-70-24-20-52(46(64)66-48(4,5)6)30-40(56)54-28-34-16-12-10-14-32(34)26-38(54)42(58)50-36(44(61)62)18-22-68-8/h9-16,35-38H,17-30H2,1-8H3,(H,49,57)(H,50,58)(H,59,60)(H,61,62)/t35-,36-,37-,38-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
KEGG
PC cid
PC sid
UniChem

Similars

Article
n/an/a>1.00E+6n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of farnesyl transferase in NIH3T3 cell based assay in non-reducing (-DTT) conditions


Bioorg Med Chem Lett 5: 2677-2682 (1995)


Article DOI: 10.1016/0960-894X(95)00482-9
BindingDB Entry DOI: 10.7270/Q2QC03GF
More data for this
Ligand-Target Pair