BDBM141829 US8921397, 71

SMILES: CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1

InChI Key: InChIKey=JNOKWZBEYVLXQJ-OJBMAJLDSA-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 = 141829   

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))	BDBM141829 (US8921397, 71) Show SMILES CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:17.18,wD:14.14,(10.15,-.77,;11.49,0,;12.82,.77,;12.26,-1.33,;10.72,1.33,;9.18,1.33,;8.41,,;6.87,,;6.1,1.33,;6.87,2.67,;8.41,2.67,;4.56,1.33,;3.79,2.67,;3.79,,;2.25,,;1.48,1.33,;-.06,1.33,;-.83,,;-2.37,,;-3.14,-1.33,;-4.68,-1.33,;-5.45,,;-6.99,,;-7.76,-1.33,;-6.99,-2.67,;-5.45,-2.67,;-9.3,-1.33,;-10.21,-2.58,;-11.67,-2.1,;-11.67,-.56,;-12.82,.47,;-12.5,1.97,;-11.03,2.45,;-9.89,1.42,;-10.21,-.09,;-.06,-1.33,;1.48,-1.33,)| Show InChI InChI=1S/C32H42N2O3/c1-32(2,3)37-27-14-10-25(11-15-27)31(35)33-26-12-8-23(9-13-26)16-19-34-20-17-24(18-21-34)29-22-36-30-7-5-4-6-28(29)30/h4-7,10-11,14-15,22-24,26H,8-9,12-13,16-21H2,1-3H3,(H,33,35)/t23-,26-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	2.14	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))	BDBM141829 (US8921397, 71) Show SMILES CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:17.18,wD:14.14,(10.15,-.77,;11.49,0,;12.82,.77,;12.26,-1.33,;10.72,1.33,;9.18,1.33,;8.41,,;6.87,,;6.1,1.33,;6.87,2.67,;8.41,2.67,;4.56,1.33,;3.79,2.67,;3.79,,;2.25,,;1.48,1.33,;-.06,1.33,;-.83,,;-2.37,,;-3.14,-1.33,;-4.68,-1.33,;-5.45,,;-6.99,,;-7.76,-1.33,;-6.99,-2.67,;-5.45,-2.67,;-9.3,-1.33,;-10.21,-2.58,;-11.67,-2.1,;-11.67,-.56,;-12.82,.47,;-12.5,1.97,;-11.03,2.45,;-9.89,1.42,;-10.21,-.09,;-.06,-1.33,;1.48,-1.33,)| Show InChI InChI=1S/C32H42N2O3/c1-32(2,3)37-27-14-10-25(11-15-27)31(35)33-26-12-8-23(9-13-26)16-19-34-20-17-24(18-21-34)29-22-36-30-7-5-4-6-28(29)30/h4-7,10-11,14-15,22-24,26H,8-9,12-13,16-21H2,1-3H3,(H,33,35)/t23-,26-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	5.56	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))	BDBM141829 (US8921397, 71) Show SMILES CC(C)(C)Oc1ccc(cc1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2coc3ccccc23)CC1 |r,wU:17.18,wD:14.14,(10.15,-.77,;11.49,0,;12.82,.77,;12.26,-1.33,;10.72,1.33,;9.18,1.33,;8.41,,;6.87,,;6.1,1.33,;6.87,2.67,;8.41,2.67,;4.56,1.33,;3.79,2.67,;3.79,,;2.25,,;1.48,1.33,;-.06,1.33,;-.83,,;-2.37,,;-3.14,-1.33,;-4.68,-1.33,;-5.45,,;-6.99,,;-7.76,-1.33,;-6.99,-2.67,;-5.45,-2.67,;-9.3,-1.33,;-10.21,-2.58,;-11.67,-2.1,;-11.67,-.56,;-12.82,.47,;-12.5,1.97,;-11.03,2.45,;-9.89,1.42,;-10.21,-.09,;-.06,-1.33,;1.48,-1.33,)| Show InChI InChI=1S/C32H42N2O3/c1-32(2,3)37-27-14-10-25(11-15-27)31(35)33-26-12-8-23(9-13-26)16-19-34-20-17-24(18-21-34)29-22-36-30-7-5-4-6-28(29)30/h4-7,10-11,14-15,22-24,26H,8-9,12-13,16-21H2,1-3H3,(H,33,35)/t23-,26-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	168	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