BDBM50453818 CHEMBL4202636
SMILES: COC(=O)[C@H](CCSC)NC(=O)CN1C[C@@H](N=C(c2ccccc2)c2ccccc12)N(C)C(=O)[C@H](N)CS
InChI Key: InChIKey=CPSSWZSRNFSQCV-GIWBLDEGSA-N
Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB
Found 2 hits for monomerid = 50453818 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)) | BDBM50453818
(CHEMBL4202636)Show SMILES COC(=O)[C@H](CCSC)NC(=O)CN1C[C@@H](N=C(c2ccccc2)c2ccccc12)N(C)C(=O)[C@H](N)CS |r,t:16| Show InChI InChI=1S/C27H35N5O4S2/c1-31(26(34)20(28)17-37)23-15-32(16-24(33)29-21(13-14-38-3)27(35)36-2)22-12-8-7-11-19(22)25(30-23)18-9-5-4-6-10-18/h4-12,20-21,23,37H,13-17,28H2,1-3H3,(H,29,33)/t20-,21+,23+/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
UniProtKB/TrEMBL
B.MOAD
DrugBank
antibodypedia
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 41 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Inhibition of FTase (unknown origin) |
J Med Chem 61: 3239-3252 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01817
BindingDB Entry DOI: 10.7270/Q2542R5N |
More data for this
Ligand-Target Pair | |
Geranylgeranyl transferase type I beta subunit/Protein Farnesyltransferase (PFT)
(Homo sapiens (Human)) | BDBM50453818
(CHEMBL4202636)Show SMILES COC(=O)[C@H](CCSC)NC(=O)CN1C[C@@H](N=C(c2ccccc2)c2ccccc12)N(C)C(=O)[C@H](N)CS |r,t:16| Show InChI InChI=1S/C27H35N5O4S2/c1-31(26(34)20(28)17-37)23-15-32(16-24(33)29-21(13-14-38-3)27(35)36-2)22-12-8-7-11-19(22)25(30-23)18-9-5-4-6-10-18/h4-12,20-21,23,37H,13-17,28H2,1-3H3,(H,29,33)/t20-,21+,23+/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | >1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Temple University
Curated by ChEMBL
| Assay Description
Inhibition of GGTase1 (unknown origin) |
J Med Chem 61: 3239-3252 (2018)
Article DOI: 10.1021/acs.jmedchem.6b01817
BindingDB Entry DOI: 10.7270/Q2542R5N |
More data for this
Ligand-Target Pair | |
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