BDBM141768 US8921397, 10

SMILES: Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3coc4ccccc34)CC2)on1

InChI Key: InChIKey=LQSBOQJIPVGJNY-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 = 141768   

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))	BDBM141768 (US8921397, 10) Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3coc4ccccc34)CC2)on1 |r,wU:11.11,wD:8.7,(11.52,-2.23,;10.18,-1.46,;9.71,,;8.17,,;7.4,1.33,;5.86,1.33,;5.09,2.67,;5.09,,;3.55,,;2.78,1.33,;1.24,1.33,;.47,,;-1.07,,;-1.84,-1.33,;-3.38,-1.33,;-4.15,-2.67,;-5.69,-2.67,;-6.46,-1.33,;-5.69,,;-4.15,,;-8,-1.33,;-8.91,-2.58,;-10.37,-2.1,;-10.37,-.56,;-11.52,.47,;-11.2,1.97,;-9.73,2.45,;-8.59,1.42,;-8.91,-.09,;1.24,-1.33,;2.78,-1.33,;7.69,-1.46,;8.94,-2.37,)| Show InChI InChI=1S/C27H35N3O3/c1-19-16-23(33-29-19)17-27(31)28-22-8-6-20(7-9-22)10-13-30-14-11-21(12-15-30)25-18-32-26-5-3-2-4-24(25)26/h2-5,16,18,20-22H,6-15,17H2,1H3,(H,28,31)/t20-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.680	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1...				US Patent US8921397 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31C3
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM141768 (US8921397, 10) Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3coc4ccccc34)CC2)on1 |r,wU:11.11,wD:8.7,(11.52,-2.23,;10.18,-1.46,;9.71,,;8.17,,;7.4,1.33,;5.86,1.33,;5.09,2.67,;5.09,,;3.55,,;2.78,1.33,;1.24,1.33,;.47,,;-1.07,,;-1.84,-1.33,;-3.38,-1.33,;-4.15,-2.67,;-5.69,-2.67,;-6.46,-1.33,;-5.69,,;-4.15,,;-8,-1.33,;-8.91,-2.58,;-10.37,-2.1,;-10.37,-.56,;-11.52,.47,;-11.2,1.97,;-9.73,2.45,;-8.59,1.42,;-8.91,-.09,;1.24,-1.33,;2.78,-1.33,;7.69,-1.46,;8.94,-2.37,)| Show InChI InChI=1S/C27H35N3O3/c1-19-16-23(33-29-19)17-27(31)28-22-8-6-20(7-9-22)10-13-30-14-11-21(12-15-30)25-18-32-26-5-3-2-4-24(25)26/h2-5,16,18,20-22H,6-15,17H2,1H3,(H,28,31)/t20-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1...				US Patent US8921397 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31C3
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM141768 (US8921397, 10) Show SMILES Cc1cc(CC(=O)N[C@H]2CC[C@H](CCN3CCC(CC3)c3coc4ccccc34)CC2)on1 |r,wU:11.11,wD:8.7,(11.52,-2.23,;10.18,-1.46,;9.71,,;8.17,,;7.4,1.33,;5.86,1.33,;5.09,2.67,;5.09,,;3.55,,;2.78,1.33,;1.24,1.33,;.47,,;-1.07,,;-1.84,-1.33,;-3.38,-1.33,;-4.15,-2.67,;-5.69,-2.67,;-6.46,-1.33,;-5.69,,;-4.15,,;-8,-1.33,;-8.91,-2.58,;-10.37,-2.1,;-10.37,-.56,;-11.52,.47,;-11.2,1.97,;-9.73,2.45,;-8.59,1.42,;-8.91,-.09,;1.24,-1.33,;2.78,-1.33,;7.69,-1.46,;8.94,-2.37,)| Show InChI InChI=1S/C27H35N3O3/c1-19-16-23(33-29-19)17-27(31)28-22-8-6-20(7-9-22)10-13-30-14-11-21(12-15-30)25-18-32-26-5-3-2-4-24(25)26/h2-5,16,18,20-22H,6-15,17H2,1H3,(H,28,31)/t20-,22-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	83.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoffmann-La Roche Inc. US Patent					Assay Description liquots of membrane preparations were thawed at RT, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC1...				US Patent US8921397 (2014) BindingDB Entry DOI: 10.7270/Q2VQ31C3
					More data for this Ligand-Target Pair