BDBM50207157 CHEMBL3903560

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

InChI Key: InChIKey=DSNSWHGDQTZOTM-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 = 50207157   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50207157 (CHEMBL3903560) Show SMILES COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(10.67,-26.47,;12.21,-26.52,;13.03,-25.23,;14.57,-25.33,;15.29,-26.66,;15.33,-24,;16.87,-24,;17.64,-22.66,;19.18,-22.66,;19.95,-23.99,;21.49,-23.98,;22.26,-22.65,;23.8,-22.65,;24.57,-23.98,;26.11,-23.98,;26.88,-22.64,;26.11,-21.31,;24.57,-21.31,;28.42,-22.64,;29.34,-23.87,;30.83,-23.4,;30.83,-21.86,;31.95,-20.84,;31.64,-19.3,;30.15,-18.84,;29.02,-19.87,;29.34,-21.36,;19.18,-25.32,;17.64,-25.33,)| Show InChI InChI=1S/C22H32N4O2S/c1-28-16-21(27)23-18-8-6-17(7-9-18)10-11-25-12-14-26(15-13-25)22-19-4-2-3-5-20(19)29-24-22/h2-5,17-18H,6-16H2,1H3,(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	0.240	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
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50207157 (CHEMBL3903560) Show SMILES COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(10.67,-26.47,;12.21,-26.52,;13.03,-25.23,;14.57,-25.33,;15.29,-26.66,;15.33,-24,;16.87,-24,;17.64,-22.66,;19.18,-22.66,;19.95,-23.99,;21.49,-23.98,;22.26,-22.65,;23.8,-22.65,;24.57,-23.98,;26.11,-23.98,;26.88,-22.64,;26.11,-21.31,;24.57,-21.31,;28.42,-22.64,;29.34,-23.87,;30.83,-23.4,;30.83,-21.86,;31.95,-20.84,;31.64,-19.3,;30.15,-18.84,;29.02,-19.87,;29.34,-21.36,;19.18,-25.32,;17.64,-25.33,)| Show InChI InChI=1S/C22H32N4O2S/c1-28-16-21(27)23-18-8-6-17(7-9-18)10-11-25-12-14-26(15-13-25)22-19-4-2-3-5-20(19)29-24-22/h2-5,17-18H,6-16H2,1H3,(H,23,27)/t17-,18-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.310	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 1A (Homo sapiens (Human))	BDBM50207157 (CHEMBL3903560) Show SMILES COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(10.67,-26.47,;12.21,-26.52,;13.03,-25.23,;14.57,-25.33,;15.29,-26.66,;15.33,-24,;16.87,-24,;17.64,-22.66,;19.18,-22.66,;19.95,-23.99,;21.49,-23.98,;22.26,-22.65,;23.8,-22.65,;24.57,-23.98,;26.11,-23.98,;26.88,-22.64,;26.11,-21.31,;24.57,-21.31,;28.42,-22.64,;29.34,-23.87,;30.83,-23.4,;30.83,-21.86,;31.95,-20.84,;31.64,-19.3,;30.15,-18.84,;29.02,-19.87,;29.34,-21.36,;19.18,-25.32,;17.64,-25.33,)| Show InChI InChI=1S/C22H32N4O2S/c1-28-16-21(27)23-18-8-6-17(7-9-18)10-11-25-12-14-26(15-13-25)22-19-4-2-3-5-20(19)29-24-22/h2-5,17-18H,6-16H2,1H3,(H,23,27)/t17-,18-	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	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))	BDBM50207157 (CHEMBL3903560) Show SMILES COCC(=O)N[C@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:6.5,wD:9.9,(10.67,-26.47,;12.21,-26.52,;13.03,-25.23,;14.57,-25.33,;15.29,-26.66,;15.33,-24,;16.87,-24,;17.64,-22.66,;19.18,-22.66,;19.95,-23.99,;21.49,-23.98,;22.26,-22.65,;23.8,-22.65,;24.57,-23.98,;26.11,-23.98,;26.88,-22.64,;26.11,-21.31,;24.57,-21.31,;28.42,-22.64,;29.34,-23.87,;30.83,-23.4,;30.83,-21.86,;31.95,-20.84,;31.64,-19.3,;30.15,-18.84,;29.02,-19.87,;29.34,-21.36,;19.18,-25.32,;17.64,-25.33,)| Show InChI InChI=1S/C22H32N4O2S/c1-28-16-21(27)23-18-8-6-17(7-9-18)10-11-25-12-14-26(15-13-25)22-19-4-2-3-5-20(19)29-24-22/h2-5,17-18H,6-16H2,1H3,(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	9.60	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