BindingDB PrimarySearch

BDBM50139861 CHEMBL3764557::US10577361, E7

SMILES: Cc1ncoc1-c1nnc(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)n1C

InChI Key: InChIKey=OEUUCWVHNBAMPM-UHFFFAOYSA-N

Data: 12 KI 6 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 18 hits for monomerid = 50139861
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	25	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 cells after 90 mins by [35S]-GTPgamma S assay				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	KEGG UniProtKB/SwissProt 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 Displacement of [125I]-7-OH-PIPAT from rat brain dopamine D3 receptor after 45 mins by microplate scintillation counting analysis				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	126	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 Agonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	126	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 US10577361 (2020) BindingDB Entry DOI: 10.7270/Q2GQ715H
INDIVIOR UK LIMITED US Patent					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+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 Antagonist activity at muscarinic M1 receptor (unknown origin)				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.00E+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 Binding affinity to muscarinic M3 receptor (unknown origin)				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.16E+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 Antagonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	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]-dofetilide from human ERG potassium channel by scintillation proximity assay				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+4	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 Agonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.26E+4	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 [125I]-7-OH-PIPAT from rat brain dopamine D2 receptor after 45 mins by microplate scintillation counting analysis				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
D(1A) dopamine receptor (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+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 Binding affinity to dopamine D1 receptor (unknown origin)				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	<1.00E+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 Binding affinity to dopamine D4 receptor (unknown origin)				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	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	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 expressed in bactosome using DBOMF as substrate				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Inhibition of human CYP2D6 expressed in bactosome				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	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	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Inhibition of human CYP2C9 expressed in bactosome				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 1A (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Inhibition of human CYP1A2 expressed in bactosome				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	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	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Agonist activity at human dopamine D3 receptor expressed in CHO cells after 90 mins by [35S]-GTPgamma S assay				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50139861 (CHEMBL3764557 \| US10577361, E7) Show SMILES Show InChI	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	>6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Aptuit s.r.l Curated by ChEMBL					Assay Description Inhibition of human CYP2C19 expressed in bactosome				Bioorg Med Chem Lett 26: 1329-32 (2016) BindingDB Entry DOI: 10.7270/Q2HM5B83
Aptuit s.r.l Curated by ChEMBL					More data for this Ligand-Target Pair