BDBM50154843 CHEMBL3775226::US10273244, Example 17::US10584135, Example 17
SMILES: Cc1ncoc1-c1nnc(SCCCN2CC3CCN(C3C2)c2ccc(cc2F)C(F)(F)F)n1C
InChI Key: InChIKey=YTXILLIRPDSLHZ-UHFFFAOYSA-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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.30 | 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 counter metho... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.60 | 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-K1 cell membranes after 90 mins by [35S]GTP-gamma-S binding assay in presence of 3... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 2 | 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 counter metho... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 2.04 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INDIVIOR UK LIMITED US Patent | Assay Description [3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD... | US Patent US10584135 (2020) BindingDB Entry DOI: 10.7270/Q29S1TFG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 2.04 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck | Assay Description 3H]-Spiperone Binding Assay at hD3 and hD4 recombinant receptors CHO cells transiently transfected with human dopamine type 3 or 4 receptors (CHO-hD3... | Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B5H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 5 | 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 counter metho... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 50 | 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 assessed as inhibition of dopamine-mediated Ca+2 stimulation pretreated for... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 63 | 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 after 120 mins by liquid scintillation counter meth... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 91.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
IRBM/Merck | Assay Description Functional Calcium Assay at hD2 recombinant receptor. CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to G... | Bioorg Med Chem Lett 18: 3456-61 (2008) BindingDB Entry DOI: 10.7270/Q2RN3B5H | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | US Patent | 91.2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
INDIVIOR UK LIMITED US Patent | Assay Description CHO cells stably expressing human dopamine receptor type 2, long variant (hD2L), coupled to Gα16 protein (CHO-Gα16-hD2L) were seeded into b... | US Patent US10584135 (2020) BindingDB Entry DOI: 10.7270/Q29S1TFG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 100 | 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 after 120 mins by liquid scintillation counter meth... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 110 | 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 recombinant human muscarinic M1 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine induced calcium mob... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 245 | 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 recombinant human muscarinic M3 receptor expressed in CHO-K1 cells assessed as inhibition of acetylcholine induced calcium mob... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 1.59E+3 | 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 after 120 mins by liquid scintillation counter meth... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 1A (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP1A2 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C19 (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP2C19 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 ... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 1.58E+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 ERG tail current expressed in HEK293 cells after 5 mins by patch clamp assay | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 200 | 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 tail current expressed in HEK293 cells after 5 mins by patch clamp assay | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
1,3-beta-glucan synthase component GLS2 (Saccharomyces cerevisiae) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 398 | 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 tail current expressed in HEK293 cells after 5 mins by patch clamp assay | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2D6 (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP2D6 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 2C9 (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP2C9 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cytochrome P450 3A4 (Homo sapiens (Human)) | BDBM50154843 (CHEMBL3775226 | US10273244, Example 17 | US1058413...) | 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 | >3.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Aptuit s.r.l Curated by ChEMBL | Assay Description Inhibition of recombinant human CYP3A4 expressed in baculosomes preincubated for 10 mins followed by cofactor addition measured every minute for 10 m... | Bioorg Med Chem 24: 1619-36 (2016) BindingDB Entry DOI: 10.7270/Q29P33JV | |||||||||||
More data for this Ligand-Target Pair |