Compile Data Set for Download or QSAR

Found 16 hits of ki for monomerid = 322072   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Specifically, a solution containing 50 μL of [3H]-citalopram (GE Healthcare) diluted with SERT buffer (50 mmol/L Tris-HCl (pH=7.4) containing 12...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Specifically, a solution containing 50 μL of [3H]-citalopram (GE Healthcare) diluted with SERT buffer (50 mmol/L Tris-HCl (pH=7.4) containing 12...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Specifically, a solution containing 50 μL of [3H]-citalopram (GE Healthcare) diluted with SERT buffer (50 mmol/L Tris-HCl (pH=7.4) containing 12...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7KTS
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description The [3H] citalopram binding was measured according to the method disclosed in Owens M. J. et al., J. Pharm. Exp. Ther., 283, 1305-1322 (1997). In spe...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Specifically, a solution containing 50 μL of [3H]-citalopram (GE Healthcare) diluted with SERT buffer (50 mmol/L Tris-HCl (pH=7.4) containing 12...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2A: A solution containing 50 μL of [H]-ketanserin (the final concentration: 1 nM), 2 μL of a solution of a test compound in DMSO or a s...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2A: A solution containing 50 μL of [H]-ketanserin (the final concentration: 1 nM), 2 μL of a solution of a test compound in DMSO or a s...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2A: A solution containing 50 μL of [H]-ketanserin (the final concentration: 1 nM), 2 μL of a solution of a test compound in DMSO or a s...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2C: A solution containing 50 μL of [H]-mesulergine (GE Healthcare) diluted with 50 mmol/L Tris-HCl (pH=7.4) (the final concentration: about ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				Citation and Details BindingDB Entry DOI: 10.7270/Q2BV7KTS
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
SUMITOMO DAINIPPON PHARMA CO., LTD. US Patent					Assay Description A solution of 200 μL in total was prepared by mixing 50 μL of [3H] mesulergine (manufactured by GE Healthcare) diluted with 50 mmol/L Tris-...				US Patent US10183913 (2019) BindingDB Entry DOI: 10.7270/Q2MW2K73
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2A: A solution containing 50 μL of [H]-ketanserin (the final concentration: 1 nM), 2 μL of a solution of a test compound in DMSO or a s...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	6.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2C: A solution containing 50 μL of [H]-mesulergine (GE Healthcare) diluted with 50 mmol/L Tris-HCl (pH=7.4) (the final concentration: about ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2C: A solution containing 50 μL of [H]-mesulergine (GE Healthcare) diluted with 50 mmol/L Tris-HCl (pH=7.4) (the final concentration: about ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM322072 (1-[5-(benzyloxy)-1-(cyclohexylmethyl)-1H-pyrazol-3...) Show SMILES CNCc1cc(OCc2ccccc2)n(CC2CCCCC2)n1 Show InChI InChI=1S/C19H27N3O/c1-20-13-18-12-19(23-15-17-10-6-3-7-11-17)22(21-18)14-16-8-4-2-5-9-16/h3,6-7,10-12,16,20H,2,4-5,8-9,13-15H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description 5-HT2C: A solution containing 50 μL of [H]-mesulergine (GE Healthcare) diluted with 50 mmol/L Tris-HCl (pH=7.4) (the final concentration: about ...				Citation and Details BindingDB Entry DOI: 10.7270/Q2J67MVZ
					More data for this Ligand-Target Pair