BDBM138455 US8877778, 59

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

InChI Key: InChIKey=SUBVUQDWHHIJCY-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 = 138455   

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))	BDBM138455 (US8877778, 59) Show SMILES CC(C)(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,(10.29,-.05,;8.96,-.82,;7.62,-1.59,;9.73,-2.15,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)| Show InChI InChI=1S/C27H42N2O2/c1-27(2,3)19-26(30)28-22-9-7-20(8-10-22)11-15-29-16-12-21(13-17-29)23-5-4-6-25-24(23)14-18-31-25/h4-6,20-22H,7-19H2,1-3H3,(H,28,30)/t20-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	6	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))	BDBM138455 (US8877778, 59) Show SMILES CC(C)(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,(10.29,-.05,;8.96,-.82,;7.62,-1.59,;9.73,-2.15,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)| Show InChI InChI=1S/C27H42N2O2/c1-27(2,3)19-26(30)28-22-9-7-20(8-10-22)11-15-29-16-12-21(13-17-29)23-5-4-6-25-24(23)14-18-31-25/h4-6,20-22H,7-19H2,1-3H3,(H,28,30)/t20-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	54.1	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))	BDBM138455 (US8877778, 59) Show SMILES CC(C)(C)CC(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2cccc3OCCc23)CC1 |r,wU:8.7,wD:11.11,(10.29,-.05,;8.96,-.82,;7.62,-1.59,;9.73,-2.15,;8.19,.52,;6.65,.52,;5.88,-.82,;5.88,1.85,;4.34,1.85,;3.57,.52,;2.03,.52,;1.26,1.85,;-.28,1.85,;-1.05,.52,;-2.59,.52,;-3.36,-.82,;-4.9,-.82,;-5.67,.52,;-4.9,1.85,;-3.36,1.85,;-7.21,.52,;-7.98,1.85,;-9.52,1.85,;-10.29,.52,;-9.52,-.82,;-10,-2.28,;-8.75,-3.19,;-7.51,-2.28,;-7.98,-.82,;2.03,3.19,;3.57,3.19,)| Show InChI InChI=1S/C27H42N2O2/c1-27(2,3)19-26(30)28-22-9-7-20(8-10-22)11-15-29-16-12-21(13-17-29)23-5-4-6-25-24(23)14-18-31-25/h4-6,20-22H,7-19H2,1-3H3,(H,28,30)/t20-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	394	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