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BDBM50199458 CHEMBL3938006

SMILES: [H][C@]12C[C@]1([C@@H](O)[C@@H](O)[C@@H]2n1cnc2c(nc(Cl)nc12)N(C)C)C(O)=O

InChI Key: InChIKey=OHWUCTKGHKECPG-RGUAOFKASA-N

Data: 4 KI

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 4 hits for monomerid = 50199458   
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))
BDBM50199458
PNG
(CHEMBL3938006)
Show SMILES CN(C)c1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C14H16ClN5O4/c1-19(2)10-6-11(18-13(15)17-10)20(4-16-6)7-5-3-14(5,12(23)24)9(22)8(7)21/h4-5,7-9,21-22H,3H2,1-2H3,(H,23,24)/t5-,7-,8+,9+,14+/m1/s1
UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.08E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [125l]N 6-(4-amino-3-iodobenzyl)adenosine-5'-N-methyluronamide from recombinant human A3AR expressed in CHO cell membranes after 60 m...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
Serotonin receptor (2b and 2c)


(Homo sapiens (Human))
BDBM50199458
PNG
(CHEMBL3938006)
Show SMILES CN(C)c1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C14H16ClN5O4/c1-19(2)10-6-11(18-13(15)17-10)20(4-16-6)7-5-3-14(5,12(23)24)9(22)8(7)21/h4-5,7-9,21-22H,3H2,1-2H3,(H,23,24)/t5-,7-,8+,9+,14+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]lysergic from human 5-HT2BR expressed in HEK cell membranes incubated in dark for 90 mins by microbeta scintillation counting met...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2C


(Homo sapiens (Human))
BDBM50199458
PNG
(CHEMBL3938006)
Show SMILES CN(C)c1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C14H16ClN5O4/c1-19(2)10-6-11(18-13(15)17-10)20(4-16-6)7-5-3-14(5,12(23)24)9(22)8(7)21/h4-5,7-9,21-22H,3H2,1-2H3,(H,23,24)/t5-,7-,8+,9+,14+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
8.00E+3n/an/an/an/an/an/an/an/a



National Institute of Diabetes and Digestive and Kidney Diseases

Curated by ChEMBL


Assay Description
Displacement of [3H]mesulergine from human 5-HT2CR expressed in Flp-In HEK cell membranes incubated for 90 mins under dark condition by microbeta sci...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair
5-hydroxytryptamine receptor 2A


(Homo sapiens (Human))
BDBM50199458
PNG
(CHEMBL3938006)
Show SMILES CN(C)c1nc(Cl)nc2n(cnc12)[C@@H]1[C@H]2C[C@]2([C@@H](O)[C@H]1O)C(O)=O
Show InChI InChI=1S/C14H16ClN5O4/c1-19(2)10-6-11(18-13(15)17-10)20(4-16-6)7-5-3-14(5,12(23)24)9(22)8(7)21/h4-5,7-9,21-22H,3H2,1-2H3,(H,23,24)/t5-,7-,8+,9+,14+/m1/s1
Reactome pathway
KEGG

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
Displacement of [3H]ketanserin from human 5-HT2A receptor expressed in HEK-T cell membranes incubated for 90 mins under dark condition by microbeta s...


J Med Chem 59: 11006-11026 (2016)


Article DOI: 10.1021/acs.jmedchem.6b01183
BindingDB Entry DOI: 10.7270/Q2DN4709
More data for this
Ligand-Target Pair