BDBM50207154 CHEMBL3902496

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

InChI Key: InChIKey=OQXLAYDVTKONPU-IYARVYRRSA-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 = 50207154   

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))	BDBM50207154 (CHEMBL3902496) Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:5.4,wD:8.8,(11.36,-23.72,;12.08,-25.09,;13.63,-25.17,;14.35,-26.54,;14.39,-23.84,;15.92,-23.82,;16.73,-22.48,;18.25,-22.47,;19.02,-23.77,;20.55,-23.8,;21.36,-22.41,;22.89,-22.44,;23.66,-23.75,;25.22,-23.71,;25.99,-22.39,;25.18,-21.09,;23.64,-21.06,;27.51,-22.37,;28.43,-23.64,;29.9,-23.16,;29.87,-21.58,;30.95,-20.55,;30.62,-19.05,;29.21,-18.57,;28.06,-19.61,;28.39,-21.11,;18.27,-25.14,;16.74,-25.17,)| Show InChI InChI=1S/C22H32N4OS/c1-2-21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)22-19-5-3-4-6-20(19)28-24-22/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0520	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))	BDBM50207154 (CHEMBL3902496) Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:5.4,wD:8.8,(11.36,-23.72,;12.08,-25.09,;13.63,-25.17,;14.35,-26.54,;14.39,-23.84,;15.92,-23.82,;16.73,-22.48,;18.25,-22.47,;19.02,-23.77,;20.55,-23.8,;21.36,-22.41,;22.89,-22.44,;23.66,-23.75,;25.22,-23.71,;25.99,-22.39,;25.18,-21.09,;23.64,-21.06,;27.51,-22.37,;28.43,-23.64,;29.9,-23.16,;29.87,-21.58,;30.95,-20.55,;30.62,-19.05,;29.21,-18.57,;28.06,-19.61,;28.39,-21.11,;18.27,-25.14,;16.74,-25.17,)| Show InChI InChI=1S/C22H32N4OS/c1-2-21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)22-19-5-3-4-6-20(19)28-24-22/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank 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]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))	BDBM50207154 (CHEMBL3902496) Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:5.4,wD:8.8,(11.36,-23.72,;12.08,-25.09,;13.63,-25.17,;14.35,-26.54,;14.39,-23.84,;15.92,-23.82,;16.73,-22.48,;18.25,-22.47,;19.02,-23.77,;20.55,-23.8,;21.36,-22.41,;22.89,-22.44,;23.66,-23.75,;25.22,-23.71,;25.99,-22.39,;25.18,-21.09,;23.64,-21.06,;27.51,-22.37,;28.43,-23.64,;29.9,-23.16,;29.87,-21.58,;30.95,-20.55,;30.62,-19.05,;29.21,-18.57,;28.06,-19.61,;28.39,-21.11,;18.27,-25.14,;16.74,-25.17,)| Show InChI InChI=1S/C22H32N4OS/c1-2-21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)22-19-5-3-4-6-20(19)28-24-22/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.5	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))	BDBM50207154 (CHEMBL3902496) Show SMILES CCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:5.4,wD:8.8,(11.36,-23.72,;12.08,-25.09,;13.63,-25.17,;14.35,-26.54,;14.39,-23.84,;15.92,-23.82,;16.73,-22.48,;18.25,-22.47,;19.02,-23.77,;20.55,-23.8,;21.36,-22.41,;22.89,-22.44,;23.66,-23.75,;25.22,-23.71,;25.99,-22.39,;25.18,-21.09,;23.64,-21.06,;27.51,-22.37,;28.43,-23.64,;29.9,-23.16,;29.87,-21.58,;30.95,-20.55,;30.62,-19.05,;29.21,-18.57,;28.06,-19.61,;28.39,-21.11,;18.27,-25.14,;16.74,-25.17,)| Show InChI InChI=1S/C22H32N4OS/c1-2-21(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)22-19-5-3-4-6-20(19)28-24-22/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	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