BDBM50207114 CHEMBL3892440

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

InChI Key: InChIKey=PNDDOSJAKNIYIV-QAQDUYKDSA-N

Data: 4 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 4 hits for monomerid = 50207114   

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))	BDBM50207114 (CHEMBL3892440) Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:8.8,wD:5.4,(36.84,-35.7,;35.3,-35.71,;33.84,-36.21,;35,-37.22,;34.52,-34.39,;32.98,-34.41,;32.2,-33.08,;30.66,-33.1,;29.9,-34.44,;28.37,-34.46,;27.58,-33.13,;26.04,-33.15,;25.26,-31.83,;23.72,-31.84,;22.96,-33.18,;23.74,-34.51,;25.29,-34.49,;21.43,-33.2,;20.53,-34.46,;19.07,-33.99,;19.05,-32.45,;17.9,-31.44,;18.2,-29.93,;19.66,-29.44,;20.81,-30.45,;20.51,-31.96,;30.68,-35.76,;32.23,-35.75,)| Show InChI InChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-8-6-16(7-9-17)10-11-23-12-14-24(15-13-23)20-18-4-2-3-5-19(18)27-21-20/h2-5,16-17,22H,6-15H2,1H3/t16-,17-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0950	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))	BDBM50207114 (CHEMBL3892440) Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:8.8,wD:5.4,(36.84,-35.7,;35.3,-35.71,;33.84,-36.21,;35,-37.22,;34.52,-34.39,;32.98,-34.41,;32.2,-33.08,;30.66,-33.1,;29.9,-34.44,;28.37,-34.46,;27.58,-33.13,;26.04,-33.15,;25.26,-31.83,;23.72,-31.84,;22.96,-33.18,;23.74,-34.51,;25.29,-34.49,;21.43,-33.2,;20.53,-34.46,;19.07,-33.99,;19.05,-32.45,;17.9,-31.44,;18.2,-29.93,;19.66,-29.44,;20.81,-30.45,;20.51,-31.96,;30.68,-35.76,;32.23,-35.75,)| Show InChI InChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-8-6-16(7-9-17)10-11-23-12-14-24(15-13-23)20-18-4-2-3-5-19(18)27-21-20/h2-5,16-17,22H,6-15H2,1H3/t16-,17-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.280	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))	BDBM50207114 (CHEMBL3892440) Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:8.8,wD:5.4,(36.84,-35.7,;35.3,-35.71,;33.84,-36.21,;35,-37.22,;34.52,-34.39,;32.98,-34.41,;32.2,-33.08,;30.66,-33.1,;29.9,-34.44,;28.37,-34.46,;27.58,-33.13,;26.04,-33.15,;25.26,-31.83,;23.72,-31.84,;22.96,-33.18,;23.74,-34.51,;25.29,-34.49,;21.43,-33.2,;20.53,-34.46,;19.07,-33.99,;19.05,-32.45,;17.9,-31.44,;18.2,-29.93,;19.66,-29.44,;20.81,-30.45,;20.51,-31.96,;30.68,-35.76,;32.23,-35.75,)| Show InChI InChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-8-6-16(7-9-17)10-11-23-12-14-24(15-13-23)20-18-4-2-3-5-19(18)27-21-20/h2-5,16-17,22H,6-15H2,1H3/t16-,17-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.30	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))	BDBM50207114 (CHEMBL3892440) Show SMILES CS(=O)(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:8.8,wD:5.4,(36.84,-35.7,;35.3,-35.71,;33.84,-36.21,;35,-37.22,;34.52,-34.39,;32.98,-34.41,;32.2,-33.08,;30.66,-33.1,;29.9,-34.44,;28.37,-34.46,;27.58,-33.13,;26.04,-33.15,;25.26,-31.83,;23.72,-31.84,;22.96,-33.18,;23.74,-34.51,;25.29,-34.49,;21.43,-33.2,;20.53,-34.46,;19.07,-33.99,;19.05,-32.45,;17.9,-31.44,;18.2,-29.93,;19.66,-29.44,;20.81,-30.45,;20.51,-31.96,;30.68,-35.76,;32.23,-35.75,)| Show InChI InChI=1S/C20H30N4O2S2/c1-28(25,26)22-17-8-6-16(7-9-17)10-11-23-12-14-24(15-13-23)20-18-4-2-3-5-19(18)27-21-20/h2-5,16-17,22H,6-15H2,1H3/t16-,17-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.90	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