null

SMILES: CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1

InChI Key: InChIKey=IOKDDLUMOKQUEG-WGSAOQKQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50207108   

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))	BDBM50207108 (CHEMBL3920432) Show SMILES CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.10,wD:7.6,(41.02,-21.07,;39.48,-21.06,;38.71,-22.4,;37.17,-22.39,;37.16,-23.93,;35.83,-23.16,;36.4,-21.06,;34.86,-21.06,;34.09,-19.73,;32.55,-19.74,;31.79,-21.07,;30.25,-21.07,;29.47,-19.74,;27.93,-19.74,;27.16,-18.41,;25.62,-18.41,;24.86,-19.74,;25.63,-21.07,;27.17,-21.07,;23.32,-19.74,;22.42,-20.99,;20.95,-20.51,;20.95,-18.97,;19.8,-17.94,;20.13,-16.44,;21.59,-15.96,;22.73,-16.99,;22.41,-18.49,;32.55,-22.4,;34.09,-22.4,)| Show InChI InChI=1S/C22H34N4O2S2/c1-2-17-30(27,28)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)22-20-5-3-4-6-21(20)29-23-22/h3-6,18-19,24H,2,7-17H2,1H3/t18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Displacement of [3H]methyl-spiperone from recombinant human D3 receptor expressed in CHO cell membranes after 60 mins by scintillation counting metho...				Eur J Med Chem 123: 332-353 (2016) Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50207108 (CHEMBL3920432) Show SMILES CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.10,wD:7.6,(41.02,-21.07,;39.48,-21.06,;38.71,-22.4,;37.17,-22.39,;37.16,-23.93,;35.83,-23.16,;36.4,-21.06,;34.86,-21.06,;34.09,-19.73,;32.55,-19.74,;31.79,-21.07,;30.25,-21.07,;29.47,-19.74,;27.93,-19.74,;27.16,-18.41,;25.62,-18.41,;24.86,-19.74,;25.63,-21.07,;27.17,-21.07,;23.32,-19.74,;22.42,-20.99,;20.95,-20.51,;20.95,-18.97,;19.8,-17.94,;20.13,-16.44,;21.59,-15.96,;22.73,-16.99,;22.41,-18.49,;32.55,-22.4,;34.09,-22.4,)| Show InChI InChI=1S/C22H34N4O2S2/c1-2-17-30(27,28)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)22-20-5-3-4-6-21(20)29-23-22/h3-6,18-19,24H,2,7-17H2,1H3/t18-,19-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.340	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Displacement of [3H]ketanserin from recombinant human 5-HT2A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting meth...				Eur J Med Chem 123: 332-353 (2016) Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50207108 (CHEMBL3920432) Show SMILES CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.10,wD:7.6,(41.02,-21.07,;39.48,-21.06,;38.71,-22.4,;37.17,-22.39,;37.16,-23.93,;35.83,-23.16,;36.4,-21.06,;34.86,-21.06,;34.09,-19.73,;32.55,-19.74,;31.79,-21.07,;30.25,-21.07,;29.47,-19.74,;27.93,-19.74,;27.16,-18.41,;25.62,-18.41,;24.86,-19.74,;25.63,-21.07,;27.17,-21.07,;23.32,-19.74,;22.42,-20.99,;20.95,-20.51,;20.95,-18.97,;19.8,-17.94,;20.13,-16.44,;21.59,-15.96,;22.73,-16.99,;22.41,-18.49,;32.55,-22.4,;34.09,-22.4,)| Show InChI InChI=1S/C22H34N4O2S2/c1-2-17-30(27,28)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)22-20-5-3-4-6-21(20)29-23-22/h3-6,18-19,24H,2,7-17H2,1H3/t18-,19-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Displacement of [3H]8-OH-DPAT from recombinant human 5-HT1A receptor expressed in HEK293 cell membranes after 60 mins by scintillation counting metho...				Eur J Med Chem 123: 332-353 (2016) Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50207108 (CHEMBL3920432) Show SMILES CCCS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:10.10,wD:7.6,(41.02,-21.07,;39.48,-21.06,;38.71,-22.4,;37.17,-22.39,;37.16,-23.93,;35.83,-23.16,;36.4,-21.06,;34.86,-21.06,;34.09,-19.73,;32.55,-19.74,;31.79,-21.07,;30.25,-21.07,;29.47,-19.74,;27.93,-19.74,;27.16,-18.41,;25.62,-18.41,;24.86,-19.74,;25.63,-21.07,;27.17,-21.07,;23.32,-19.74,;22.42,-20.99,;20.95,-20.51,;20.95,-18.97,;19.8,-17.94,;20.13,-16.44,;21.59,-15.96,;22.73,-16.99,;22.41,-18.49,;32.55,-22.4,;34.09,-22.4,)| Show InChI InChI=1S/C22H34N4O2S2/c1-2-17-30(27,28)24-19-9-7-18(8-10-19)11-12-25-13-15-26(16-14-25)22-20-5-3-4-6-21(20)29-23-22/h3-6,18-19,24H,2,7-17H2,1H3/t18-,19-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Jiao Tong University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from recombinant human D2L receptor expressed in CHO cell membranes after 60 mins by scintillation counting method				Eur J Med Chem 123: 332-353 (2016) Article DOI: 10.1016/j.ejmech.2016.07.038 BindingDB Entry DOI: 10.7270/Q2GH9KXP
					More data for this Ligand-Target Pair