BDBM138420 US8877778, 24

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

InChI Key: InChIKey=CNRWQWXTVCUGCK-AQYVVDRMSA-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 = 138420   

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))	BDBM138420 (US8877778, 24) Show SMILES CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(8.09,-2.15,;8.86,-.82,;10.4,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.39,1.85,;-1.16,.52,;-2.7,.52,;-3.47,-.82,;-5.01,-.82,;-5.78,.52,;-5.01,1.85,;-3.47,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.93,3.19,;3.47,3.19,)| Show InChI InChI=1S/C26H40N2O2/c1-19(2)18-26(29)27-22-8-6-20(7-9-22)10-14-28-15-11-21(12-16-28)23-4-3-5-25-24(23)13-17-30-25/h3-5,19-22H,6-18H2,1-2H3,(H,27,29)/t20-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.20	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))	BDBM138420 (US8877778, 24) Show SMILES CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(8.09,-2.15,;8.86,-.82,;10.4,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.39,1.85,;-1.16,.52,;-2.7,.52,;-3.47,-.82,;-5.01,-.82,;-5.78,.52,;-5.01,1.85,;-3.47,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.93,3.19,;3.47,3.19,)| Show InChI InChI=1S/C26H40N2O2/c1-19(2)18-26(29)27-22-8-6-20(7-9-22)10-14-28-15-11-21(12-16-28)23-4-3-5-25-24(23)13-17-30-25/h3-5,19-22H,6-18H2,1-2H3,(H,27,29)/t20-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	31.1	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 US8877778 (2014) BindingDB Entry DOI: 10.7270/Q24J0CTP
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM138420 (US8877778, 24) Show SMILES CC(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1 |r,wU:7.6,wD:10.10,(8.09,-2.15,;8.86,-.82,;10.4,-.82,;8.09,.52,;6.55,.52,;5.78,-.82,;5.78,1.85,;4.24,1.85,;3.47,.52,;1.93,.52,;1.16,1.85,;-.39,1.85,;-1.16,.52,;-2.7,.52,;-3.47,-.82,;-5.01,-.82,;-5.78,.52,;-5.01,1.85,;-3.47,1.85,;-7.32,.52,;-8.09,1.85,;-9.63,1.85,;-10.4,.52,;-9.63,-.82,;-10.1,-2.28,;-8.86,-3.19,;-7.61,-2.28,;-8.09,-.82,;1.93,3.19,;3.47,3.19,)| Show InChI InChI=1S/C26H40N2O2/c1-19(2)18-26(29)27-22-8-6-20(7-9-22)10-14-28-15-11-21(12-16-28)23-4-3-5-25-24(23)13-17-30-25/h3-5,19-22H,6-18H2,1-2H3,(H,27,29)/t20-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	213	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