BDBM138446 US8877778, 50

SMILES: Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1

InChI Key: InChIKey=LARFMQZWGLKYLH-JKIUYZKVSA-N

Data: 3 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 3 hits for monomerid = 138446   

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))	BDBM138446 (US8877778, 50) Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1 |r,wU:11.11,wD:14.15,(10.01,-4,;9.24,-2.67,;10.01,-1.33,;9.24,,;7.7,,;6.93,-1.33,;7.7,-2.67,;6.93,1.33,;8.26,2.1,;5.6,.56,;6.16,2.67,;4.62,2.67,;3.85,1.33,;2.31,1.33,;1.54,2.67,;,2.67,;-.77,1.33,;-2.31,1.33,;-3.08,2.67,;-4.62,2.67,;-5.39,1.33,;-4.62,,;-3.08,,;-6.93,1.33,;-7.7,2.67,;-9.24,2.67,;-10.01,1.33,;-9.24,,;-9.72,-1.46,;-8.47,-2.37,;-7.22,-1.46,;-7.7,,;2.31,4,;3.85,4,)| Show InChI InChI=1S/C27H35FN2O3S/c28-22-6-10-24(11-7-22)34(31,32)29-23-8-4-20(5-9-23)12-16-30-17-13-21(14-18-30)25-2-1-3-27-26(25)15-19-33-27/h1-3,6-7,10-11,20-21,23,29H,4-5,8-9,12-19H2/t20-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl...				US Patent US8877778 (2014) BindingDB Entry DOI: 10.7270/Q24J0CTP
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM138446 (US8877778, 50) Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1 |r,wU:11.11,wD:14.15,(10.01,-4,;9.24,-2.67,;10.01,-1.33,;9.24,,;7.7,,;6.93,-1.33,;7.7,-2.67,;6.93,1.33,;8.26,2.1,;5.6,.56,;6.16,2.67,;4.62,2.67,;3.85,1.33,;2.31,1.33,;1.54,2.67,;,2.67,;-.77,1.33,;-2.31,1.33,;-3.08,2.67,;-4.62,2.67,;-5.39,1.33,;-4.62,,;-3.08,,;-6.93,1.33,;-7.7,2.67,;-9.24,2.67,;-10.01,1.33,;-9.24,,;-9.72,-1.46,;-8.47,-2.37,;-7.22,-1.46,;-7.7,,;2.31,4,;3.85,4,)| Show InChI InChI=1S/C27H35FN2O3S/c28-22-6-10-24(11-7-22)34(31,32)29-23-8-4-20(5-9-23)12-16-30-17-13-21(14-18-30)25-2-1-3-27-26(25)15-19-33-27/h1-3,6-7,10-11,20-21,23,29H,4-5,8-9,12-19H2/t20-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	86.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl...				US Patent US8877778 (2014) BindingDB Entry DOI: 10.7270/Q24J0CTP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM138446 (US8877778, 50) Show SMILES Fc1ccc(cc1)S(=O)(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1 |r,wU:11.11,wD:14.15,(10.01,-4,;9.24,-2.67,;10.01,-1.33,;9.24,,;7.7,,;6.93,-1.33,;7.7,-2.67,;6.93,1.33,;8.26,2.1,;5.6,.56,;6.16,2.67,;4.62,2.67,;3.85,1.33,;2.31,1.33,;1.54,2.67,;,2.67,;-.77,1.33,;-2.31,1.33,;-3.08,2.67,;-4.62,2.67,;-5.39,1.33,;-4.62,,;-3.08,,;-6.93,1.33,;-7.7,2.67,;-9.24,2.67,;-10.01,1.33,;-9.24,,;-9.72,-1.46,;-8.47,-2.37,;-7.22,-1.46,;-7.7,,;2.31,4,;3.85,4,)| Show InChI InChI=1S/C27H35FN2O3S/c28-22-6-10-24(11-7-22)34(31,32)29-23-8-4-20(5-9-23)12-16-30-17-13-21(14-18-30)25-2-1-3-27-26(25)15-19-33-27/h1-3,6-7,10-11,20-21,23,29H,4-5,8-9,12-19H2/t20-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	105	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description Aliquots of membrane preparations were thawed at RT, resupended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KCl...				US Patent US8877778 (2014) BindingDB Entry DOI: 10.7270/Q24J0CTP
					More data for this Ligand-Target Pair