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BDBM50236815 CHEMBL4081194

SMILES: [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(NC)nc(nc12)C#Cc1ccc(Cl)s1)C(=O)OCCC(C)C

InChI Key: InChIKey=IUSLNKPDMVLBNM-BONGUKEGSA-N

Data: 3 KI

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50236815   
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
Transmembrane domain-containing protein TMIGD3


(Homo sapiens (Human))
BDBM50236815
PNG
(CHEMBL4081194)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCC(C)C)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C24H26ClN5O4S/c1-12(2)8-9-34-23(33)24-10-14(24)18(19(31)20(24)32)30-11-27-17-21(26-3)28-16(29-22(17)30)7-5-13-4-6-15(25)35-13/h4,6,11-12,14,18-20,31-32H,8-10H2,1-3H3,(H,26,28,29)/t14-,18-,19+,20+,24+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibit of purified bovine Farnesyl protein transferase.


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Monoamine transporter


(Homo sapiens (Human))
BDBM50236815
PNG
(CHEMBL4081194)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCC(C)C)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C24H26ClN5O4S/c1-12(2)8-9-34-23(33)24-10-14(24)18(19(31)20(24)32)30-11-27-17-21(26-3)28-16(29-22(17)30)7-5-13-4-6-15(25)35-13/h4,6,11-12,14,18-20,31-32H,8-10H2,1-3H3,(H,26,28,29)/t14-,18-,19+,20+,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibit of purified bovine Farnesyl protein transferase.


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair
Monoamine transporter


(Homo sapiens (Human))
BDBM50236815
PNG
(CHEMBL4081194)
Show SMILES CNc1nc(nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(=O)OCCC(C)C)C#Cc1ccc(Cl)s1
Show InChI InChI=1S/C24H26ClN5O4S/c1-12(2)8-9-34-23(33)24-10-14(24)18(19(31)20(24)32)30-11-27-17-21(26-3)28-16(29-22(17)30)7-5-13-4-6-15(25)35-13/h4,6,11-12,14,18-20,31-32H,8-10H2,1-3H3,(H,26,28,29)/t14-,18-,19+,20+,24+/m1/s1
PDB

KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
<1.00E+4n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Inhibition of [125I]RTI-55 binding to recombinant human SERT expressed in HEK293 cell membranes preincubated for 10 mins followed by radioligand addi...


J Med Chem 60: 3109-3123 (2017)


Article DOI: 10.1021/acs.jmedchem.7b00141
More data for this
Ligand-Target Pair