BDBM50192238 CHEMBL3926847
SMILES: Cc1ncoc1-c1nnc(SCCCN2CC[C@@]3(C[C@H]3c3ccc(F)cc3F)C2)n1C
InChI Key: InChIKey=XIHOJUYAGODVFH-HTAPYJJXSA-N
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 |
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D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50192238 (CHEMBL3926847) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.331 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l. Curated by ChEMBL | Assay Description Antagonist activity at human dopamine D3 receptor expressed in CHO cell membranes after 90 mins in presence of quinelorane by [35S]-GTPgammaS binding... | J Med Chem 59: 8549-76 (2016) BindingDB Entry DOI: 10.7270/Q2SQ9298 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50192238 (CHEMBL3926847) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.813 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l. Curated by ChEMBL | Assay Description Displacement of [3H]-spiperone from human dopamine D3 receptor expressed in CHO-K1 cell membranes after 90 mins by liquid scintillation counting | J Med Chem 59: 8549-76 (2016) BindingDB Entry DOI: 10.7270/Q2SQ9298 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50192238 (CHEMBL3926847) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 66 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l. Curated by ChEMBL | Assay Description Antagonist activity at human dopamine D2L receptor expressed in CHO cells coexpressing Galpha16 assessed as inhibition of dopamine-induced Ca2+ stimu... | J Med Chem 59: 8549-76 (2016) BindingDB Entry DOI: 10.7270/Q2SQ9298 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50192238 (CHEMBL3926847) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 257 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l. Curated by ChEMBL | Assay Description Displacement of [3H]-spiperone from human dopamine D2 receptor expressed in CHO-K1 cell membranes coexpressing Galpha16 after 120 mins by liquid scin... | J Med Chem 59: 8549-76 (2016) BindingDB Entry DOI: 10.7270/Q2SQ9298 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50192238 (CHEMBL3926847) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l. Curated by ChEMBL | Assay Description Inhibition of human CYP2D6 expressed in microsomes using MMC as substrate after 10 mins by P450 cypex assay | J Med Chem 59: 8549-76 (2016) BindingDB Entry DOI: 10.7270/Q2SQ9298 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50192238 (CHEMBL3926847) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l. Curated by ChEMBL | Assay Description Inhibition of human CYP1A2 expressed in microsomes using ER as substrate after 10 mins by P450 cypex assay | J Med Chem 59: 8549-76 (2016) BindingDB Entry DOI: 10.7270/Q2SQ9298 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50192238 (CHEMBL3926847) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 759 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l. Curated by ChEMBL | Assay Description Inhibition of human ERG transfected in HEK293 cells assessed as reduction in tail current by patch clamp assay | J Med Chem 59: 8549-76 (2016) BindingDB Entry DOI: 10.7270/Q2SQ9298 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50192238 (CHEMBL3926847) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l. Curated by ChEMBL | Assay Description Inhibition of human CYP2C9 expressed in microsomes using FCA as substrate after 10 mins by P450 cypex assay | J Med Chem 59: 8549-76 (2016) BindingDB Entry DOI: 10.7270/Q2SQ9298 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50192238 (CHEMBL3926847) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >1.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l. Curated by ChEMBL | Assay Description Inhibition of human CYP2C19 expressed in microsomes using BMC as substrate after 10 mins by P450 cypex assay | J Med Chem 59: 8549-76 (2016) BindingDB Entry DOI: 10.7270/Q2SQ9298 | |||||||||||
More data for this Ligand-Target Pair |