BDBM121528 US8722683, 75

SMILES: Clc1ccc(NC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)cc1

InChI Key: InChIKey=NZKGNAIACSEITE-XUTJKUGGSA-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 = 121528   

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))	BDBM121528 (US8722683, 75) Show SMILES Clc1ccc(NC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)cc1 |r,wU:9.8,wD:12.12,(10.78,4.52,;10.01,3.19,;8.47,3.19,;7.7,1.85,;8.47,.52,;7.7,-.82,;6.16,-.82,;5.39,-2.15,;5.39,.52,;3.85,.52,;3.08,-.82,;1.54,-.82,;.77,.52,;-.77,.52,;-1.54,-.82,;-3.08,-.82,;-3.85,-2.15,;-5.39,-2.15,;-6.16,-.82,;-5.39,.52,;-3.85,.52,;-7.7,-.82,;-8.47,.52,;-10.01,.52,;-10.78,-.82,;-10.01,-2.15,;-10.49,-3.61,;-9.24,-4.52,;-7.99,-3.61,;-8.47,-2.15,;1.54,1.85,;3.08,1.85,;10.01,.52,;10.78,1.85,)| Show InChI InChI=1S/C26H33ClN4O3/c27-20-6-10-22(11-7-20)29-26(32)28-21-8-4-19(5-9-21)12-13-30-14-16-31(17-15-30)23-2-1-3-24-25(23)34-18-33-24/h1-3,6-7,10-11,19,21H,4-5,8-9,12-18H2,(H2,28,29,32)/t19-,21-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	1.04	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 US8722683 (2014) BindingDB Entry DOI: 10.7270/Q2J101VJ
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM121528 (US8722683, 75) Show SMILES Clc1ccc(NC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)cc1 |r,wU:9.8,wD:12.12,(10.78,4.52,;10.01,3.19,;8.47,3.19,;7.7,1.85,;8.47,.52,;7.7,-.82,;6.16,-.82,;5.39,-2.15,;5.39,.52,;3.85,.52,;3.08,-.82,;1.54,-.82,;.77,.52,;-.77,.52,;-1.54,-.82,;-3.08,-.82,;-3.85,-2.15,;-5.39,-2.15,;-6.16,-.82,;-5.39,.52,;-3.85,.52,;-7.7,-.82,;-8.47,.52,;-10.01,.52,;-10.78,-.82,;-10.01,-2.15,;-10.49,-3.61,;-9.24,-4.52,;-7.99,-3.61,;-8.47,-2.15,;1.54,1.85,;3.08,1.85,;10.01,.52,;10.78,1.85,)| Show InChI InChI=1S/C26H33ClN4O3/c27-20-6-10-22(11-7-20)29-26(32)28-21-8-4-19(5-9-21)12-13-30-14-16-31(17-15-30)23-2-1-3-24-25(23)34-18-33-24/h1-3,6-7,10-11,19,21H,4-5,8-9,12-18H2,(H2,28,29,32)/t19-,21-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	58.8	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 US8722683 (2014) BindingDB Entry DOI: 10.7270/Q2J101VJ
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM121528 (US8722683, 75) Show SMILES Clc1ccc(NC(=O)N[C@H]2CC[C@H](CCN3CCN(CC3)c3cccc4OCOc34)CC2)cc1 |r,wU:9.8,wD:12.12,(10.78,4.52,;10.01,3.19,;8.47,3.19,;7.7,1.85,;8.47,.52,;7.7,-.82,;6.16,-.82,;5.39,-2.15,;5.39,.52,;3.85,.52,;3.08,-.82,;1.54,-.82,;.77,.52,;-.77,.52,;-1.54,-.82,;-3.08,-.82,;-3.85,-2.15,;-5.39,-2.15,;-6.16,-.82,;-5.39,.52,;-3.85,.52,;-7.7,-.82,;-8.47,.52,;-10.01,.52,;-10.78,-.82,;-10.01,-2.15,;-10.49,-3.61,;-9.24,-4.52,;-7.99,-3.61,;-8.47,-2.15,;1.54,1.85,;3.08,1.85,;10.01,.52,;10.78,1.85,)| Show InChI InChI=1S/C26H33ClN4O3/c27-20-6-10-22(11-7-20)29-26(32)28-21-8-4-19(5-9-21)12-13-30-14-16-31(17-15-30)23-2-1-3-24-25(23)34-18-33-24/h1-3,6-7,10-11,19,21H,4-5,8-9,12-18H2,(H2,28,29,32)/t19-,21-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	158	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 US8722683 (2014) BindingDB Entry DOI: 10.7270/Q2J101VJ
					More data for this Ligand-Target Pair