BDBM121512 US8722683, 59

SMILES: O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1)c1ccc(cc1)C#N

InChI Key: InChIKey=JHONYJKBTVQFJZ-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 = 121512   

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))	BDBM121512 (US8722683, 59) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1)c1ccc(cc1)C#N |r,wU:3.2,wD:6.6,(3.85,-.82,;4.62,.52,;3.85,1.85,;2.31,1.85,;1.54,.52,;,.52,;-.77,1.85,;-2.31,1.85,;-3.08,.52,;-4.62,.52,;-5.39,-.82,;-6.93,-.82,;-7.7,.52,;-6.93,1.85,;-5.39,1.85,;-9.24,.52,;-10.01,1.85,;-11.55,1.85,;-12.32,.52,;-11.55,-.82,;-12.03,-2.28,;-10.78,-3.19,;-9.53,-2.28,;-10.01,-.82,;,3.19,;1.54,3.19,;6.16,.52,;6.93,1.85,;8.47,1.85,;9.24,.52,;8.47,-.82,;6.93,-.82,;10.78,.52,;12.32,.52,)| Show InChI InChI=1S/C27H32N4O3/c28-18-21-4-8-22(9-5-21)27(32)29-23-10-6-20(7-11-23)12-13-30-14-16-31(17-15-30)24-2-1-3-25-26(24)34-19-33-25/h1-5,8-9,20,23H,6-7,10-17,19H2,(H,29,32)/t20-,23-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	3.55	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))	BDBM121512 (US8722683, 59) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1)c1ccc(cc1)C#N |r,wU:3.2,wD:6.6,(3.85,-.82,;4.62,.52,;3.85,1.85,;2.31,1.85,;1.54,.52,;,.52,;-.77,1.85,;-2.31,1.85,;-3.08,.52,;-4.62,.52,;-5.39,-.82,;-6.93,-.82,;-7.7,.52,;-6.93,1.85,;-5.39,1.85,;-9.24,.52,;-10.01,1.85,;-11.55,1.85,;-12.32,.52,;-11.55,-.82,;-12.03,-2.28,;-10.78,-3.19,;-9.53,-2.28,;-10.01,-.82,;,3.19,;1.54,3.19,;6.16,.52,;6.93,1.85,;8.47,1.85,;9.24,.52,;8.47,-.82,;6.93,-.82,;10.78,.52,;12.32,.52,)| Show InChI InChI=1S/C27H32N4O3/c28-18-21-4-8-22(9-5-21)27(32)29-23-10-6-20(7-11-23)12-13-30-14-16-31(17-15-30)24-2-1-3-25-26(24)34-19-33-25/h1-5,8-9,20,23H,6-7,10-17,19H2,(H,29,32)/t20-,23-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	22.1	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))	BDBM121512 (US8722683, 59) Show SMILES O=C(N[C@H]1CC[C@H](CCN2CCN(CC2)c2cccc3OCOc23)CC1)c1ccc(cc1)C#N |r,wU:3.2,wD:6.6,(3.85,-.82,;4.62,.52,;3.85,1.85,;2.31,1.85,;1.54,.52,;,.52,;-.77,1.85,;-2.31,1.85,;-3.08,.52,;-4.62,.52,;-5.39,-.82,;-6.93,-.82,;-7.7,.52,;-6.93,1.85,;-5.39,1.85,;-9.24,.52,;-10.01,1.85,;-11.55,1.85,;-12.32,.52,;-11.55,-.82,;-12.03,-2.28,;-10.78,-3.19,;-9.53,-2.28,;-10.01,-.82,;,3.19,;1.54,3.19,;6.16,.52,;6.93,1.85,;8.47,1.85,;9.24,.52,;8.47,-.82,;6.93,-.82,;10.78,.52,;12.32,.52,)| Show InChI InChI=1S/C27H32N4O3/c28-18-21-4-8-22(9-5-21)27(32)29-23-10-6-20(7-11-23)12-13-30-14-16-31(17-15-30)24-2-1-3-25-26(24)34-19-33-25/h1-5,8-9,20,23H,6-7,10-17,19H2,(H,29,32)/t20-,23-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	101	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