BDBM50139851 CHEMBL3764306::US10577361, E20

SMILES: Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O

InChI Key: InChIKey=GDIAQHPBSQUEQC-UHFFFAOYSA-N

Data: 7 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 7 hits for monomerid = 50139851   

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))	BDBM50139851 (CHEMBL3764306 | US10577361, E20) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C23H25F3N6O2S/c1-31-21(16-5-8-18(20(27)33)28-13-16)29-30-22(31)35-12-2-9-32-10-11-34-19(14-32)15-3-6-17(7-4-15)23(24,25)26/h3-8,13,19H,2,9-12,14H2,1H3,(H2,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	16	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
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Rattus norvegicus (Rat))	BDBM50139851 (CHEMBL3764306 | US10577361, E20) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C23H25F3N6O2S/c1-31-21(16-5-8-18(20(27)33)28-13-16)29-30-22(31)35-12-2-9-32-10-11-34-19(14-32)15-3-6-17(7-4-15)23(24,25)26/h3-8,13,19H,2,9-12,14H2,1H3,(H2,27,33)	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	32	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
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50139851 (CHEMBL3764306 | US10577361, E20) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C23H25F3N6O2S/c1-31-21(16-5-8-18(20(27)33)28-13-16)29-30-22(31)35-12-2-9-32-10-11-34-19(14-32)15-3-6-17(7-4-15)23(24,25)26/h3-8,13,19H,2,9-12,14H2,1H3,(H2,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	35.5	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
					More data for this Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2 (Homo sapiens (Human))	BDBM50139851 (CHEMBL3764306 | US10577361, E20) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C23H25F3N6O2S/c1-31-21(16-5-8-18(20(27)33)28-13-16)29-30-22(31)35-12-2-9-32-10-11-34-19(14-32)15-3-6-17(7-4-15)23(24,25)26/h3-8,13,19H,2,9-12,14H2,1H3,(H2,27,33)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.00E+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 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
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50139851 (CHEMBL3764306 | US10577361, E20) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C23H25F3N6O2S/c1-31-21(16-5-8-18(20(27)33)28-13-16)29-30-22(31)35-12-2-9-32-10-11-34-19(14-32)15-3-6-17(7-4-15)23(24,25)26/h3-8,13,19H,2,9-12,14H2,1H3,(H2,27,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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
					More data for this Ligand-Target Pair
d2 (Homo sapiens (Human))	BDBM50139851 (CHEMBL3764306 | US10577361, E20) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C23H25F3N6O2S/c1-31-21(16-5-8-18(20(27)33)28-13-16)29-30-22(31)35-12-2-9-32-10-11-34-19(14-32)15-3-6-17(7-4-15)23(24,25)26/h3-8,13,19H,2,9-12,14H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	2.45E+4	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 re-suspended ...				US Patent US10577361 (2020) BindingDB Entry DOI: 10.7270/Q2GQ715H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50139851 (CHEMBL3764306 | US10577361, E20) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccc(nc1)C(N)=O Show InChI InChI=1S/C23H25F3N6O2S/c1-31-21(16-5-8-18(20(27)33)28-13-16)29-30-22(31)35-12-2-9-32-10-11-34-19(14-32)15-3-6-17(7-4-15)23(24,25)26/h3-8,13,19H,2,9-12,14H2,1H3,(H2,27,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	2.51E+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
					More data for this Ligand-Target Pair