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SMILES: Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1

InChI Key: InChIKey=QSGQMVZHKGEIIG-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50139854   

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 (Rattus norvegicus (Rat))	BDBM50139854 (CHEMBL3763200 | US10577361, E17) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C22H24F3N5OS/c1-29-20(17-7-9-26-10-8-17)27-28-21(29)32-14-2-11-30-12-13-31-19(15-30)16-3-5-18(6-4-16)22(23,24)25/h3-10,19H,2,11-15H2,1H3	KEGG UniProtKB/SwissProt 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 [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))	BDBM50139854 (CHEMBL3763200 | US10577361, E17) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C22H24F3N5OS/c1-29-20(17-7-9-26-10-8-17)27-28-21(29)32-14-2-11-30-12-13-31-19(15-30)16-3-5-18(6-4-16)22(23,24)25/h3-10,19H,2,11-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	105	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50139854 (CHEMBL3763200 | US10577361, E17) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C22H24F3N5OS/c1-29-20(17-7-9-26-10-8-17)27-28-21(29)32-14-2-11-30-12-13-31-19(15-30)16-3-5-18(6-4-16)22(23,24)25/h3-10,19H,2,11-15H2,1H3	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
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50139854 (CHEMBL3763200 | US10577361, E17) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C22H24F3N5OS/c1-29-20(17-7-9-26-10-8-17)27-28-21(29)32-14-2-11-30-12-13-31-19(15-30)16-3-5-18(6-4-16)22(23,24)25/h3-10,19H,2,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	1.17E+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))	BDBM50139854 (CHEMBL3763200 | US10577361, E17) Show SMILES Cn1c(SCCCN2CCOC(C2)c2ccc(cc2)C(F)(F)F)nnc1-c1ccncc1 Show InChI InChI=1S/C22H24F3N5OS/c1-29-20(17-7-9-26-10-8-17)27-28-21(29)32-14-2-11-30-12-13-31-19(15-30)16-3-5-18(6-4-16)22(23,24)25/h3-10,19H,2,11-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
					More data for this Ligand-Target Pair