null

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

InChI Key: InChIKey=BYJLEOXPONSXOY-HDICACEKSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 10 hits for monomerid = 50207110   

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))	BDBM50207110 (CHEMBL3923240 | US9550741, III-15) Show SMILES CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/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 Patents Similars	Article PubMed	0.180	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
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50207110 (CHEMBL3923240 | US9550741, III-15) Show SMILES CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/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 Patents Similars	US Patent	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry US Patent					Assay Description The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...				US Patent US9550741 (2017) BindingDB Entry DOI: 10.7270/Q2DN4726
					More data for this Ligand-Target Pair
Vitamin D3 receptor (Homo sapiens (Human))	BDBM50207110 (CHEMBL3923240 | US9550741, III-15) Show SMILES CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/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 Patents Similars	US Patent	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Shanghai Institute of Pharmaceutical Industry US Patent					Assay Description The experiment is carried out by the method according to Journal of Pharmacology and Experimental Therapeutics 2010, 333(1): 328. With [3H]methyl-spi...				US Patent US9550741 (2017) BindingDB Entry DOI: 10.7270/Q2DN4726
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50207110 (CHEMBL3923240 | US9550741, III-15) Show SMILES CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/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 Patents Similars	Article PubMed	0.570	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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50207110 (CHEMBL3923240 | US9550741, III-15) Show SMILES CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/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 Patents Similars	US Patent	0.890	n/a	n/a	n/a	n/a	n/a	n/a	7.7	n/a
Shanghai Institute of Pharmaceutical Industry US Patent					Assay Description 1. Experimental Materials(1) 5-HT2A Cell Transfection:This experiment utilizes the plasmid vector containing the gene of the 5-HT2A receptor protein ...				US Patent US9550741 (2017) BindingDB Entry DOI: 10.7270/Q2DN4726
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50207110 (CHEMBL3923240 | US9550741, III-15) Show SMILES CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/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 Patents Similars	US Patent	0.970	n/a	n/a	n/a	n/a	n/a	n/a	7.4	n/a
Shanghai Institute of Pharmaceutical Industry US Patent					Assay Description 1. Experimental Materials:The isotopic ligand of 5-H1A receptor [3H]0.8-OH-DPAT (purchased from PE Corporation), (+)5-hydroxytryptamine (purchased fr...				US Patent US9550741 (2017) BindingDB Entry DOI: 10.7270/Q2DN4726
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50207110 (CHEMBL3923240 | US9550741, III-15) Show SMILES CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	1.97	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Shanghai Institute of Pharmaceutical Industry US Patent					Assay Description 1. Experimental Materials:(1) D2 receptor Cell Transfection:This experiment utilizes the plasmid vector containing the gene of D2 receptor protein fo...				US Patent US9550741 (2017) BindingDB Entry DOI: 10.7270/Q2DN4726
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50207110 (CHEMBL3923240 | US9550741, III-15) Show SMILES CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	US Patent	1.97	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
Shanghai Institute of Pharmaceutical Industry US Patent					Assay Description 1. Experimental Materials:(1) D2 receptor Cell Transfection:This experiment utilizes the plasmid vector containing the gene of D2 receptor protein fo...				US Patent US9550741 (2017) BindingDB Entry DOI: 10.7270/Q2DN4726
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50207110 (CHEMBL3923240 | US9550741, III-15) Show SMILES CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/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 Patents Similars	Article PubMed	2	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
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50207110 (CHEMBL3923240 | US9550741, III-15) Show SMILES CCOC(=O)N[C@@H]1CC[C@H](CCN2CCN(CC2)c2nsc3ccccc23)CC1 |r,wU:9.9,6.5,(54.47,-17.58,;52.93,-17.65,;52.1,-16.36,;50.55,-16.44,;49.86,-17.82,;49.78,-15.11,;48.24,-15.11,;47.47,-13.77,;45.93,-13.77,;45.16,-15.11,;43.62,-15.11,;42.85,-13.77,;41.31,-13.77,;40.54,-15.11,;39,-15.11,;38.23,-13.77,;39,-12.44,;40.54,-12.44,;36.69,-13.77,;35.79,-15.02,;34.32,-14.54,;34.32,-13,;33.18,-11.98,;33.5,-10.47,;34.97,-9.99,;36.11,-11.02,;35.79,-12.53,;45.93,-16.44,;47.47,-16.44,)| Show InChI InChI=1S/C22H32N4O2S/c1-2-28-22(27)23-18-9-7-17(8-10-18)11-12-25-13-15-26(16-14-25)21-19-5-3-4-6-20(19)29-24-21/h3-6,17-18H,2,7-16H2,1H3,(H,23,27)/t17-,18+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	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