BDBM50139925 CHEMBL3764246::US10577361, E37

SMILES: Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C

InChI Key: InChIKey=WQOCUOYKDKZARU-UHFFFAOYSA-N

Data: 8 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 8 hits for monomerid = 50139925   

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))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	79	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))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	85.1	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))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD 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 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(3) dopamine receptor (Homo sapiens (Human))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	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 Inhibition of human CYP3A4 expressed in bactosome using 7BQ as substrate				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))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem 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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.16E+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 seeded into b...				US Patent US10577361 (2020) BindingDB Entry DOI: 10.7270/Q2GQ715H
					More data for this Ligand-Target Pair
d2 (Homo sapiens (Human))	BDBM50139925 (CHEMBL3764246 | US10577361, E37) Show SMILES Cc1nc(no1)-c1ccc(cc1)-c1nnc(SCCCN2CCOC(C2)c2ccc(C)cc2)n1C Show InChI InChI=1S/C26H30N6O2S/c1-18-5-7-20(8-6-18)23-17-32(14-15-33-23)13-4-16-35-26-29-28-25(31(26)3)22-11-9-21(10-12-22)24-27-19(2)34-30-24/h5-12,23H,4,13-17H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	3.16E+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