null

SMILES: COc1cc(ccn1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1

InChI Key: InChIKey=WNNTXSLBSCNVQL-LBZQVFOQSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 180713   

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
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM180713 (US8829029, 13) Show SMILES COc1cc(ccn1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:11.11,wD:14.15,(9.02,1.13,;8.62,2.62,;7.13,3.01,;6.73,4.5,;5.25,4.9,;4.16,3.81,;4.56,2.32,;6.04,1.93,;4.85,6.39,;5.94,7.48,;3.36,6.79,;2.27,5.7,;2.67,4.21,;1.58,3.12,;.09,3.52,;-1,2.43,;-2.48,2.83,;-3.57,1.74,;-3.17,.25,;-4.26,-.84,;-5.75,-.44,;-6.15,1.05,;-5.06,2.14,;-6.84,-1.53,;-8.33,-1.13,;-9.02,-3.7,;-7.53,-4.1,;-7.13,-5.59,;-5.64,-5.99,;-5.25,-7.48,;-4.56,-4.9,;-4.95,-3.41,;-6.44,-3.01,;-.31,5.01,;.78,6.1,)| Show InChI InChI=1S/C27H33FN4O3/c1-34-25-16-20(8-12-29-25)27(33)30-22-5-2-18(3-6-22)9-13-32-14-10-19(11-15-32)26-23-7-4-21(28)17-24(23)35-31-26/h4,7-8,12,16-19,22H,2-3,5-6,9-11,13-15H2,1H3,(H,30,33)/t18-,22-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.62	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, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM180713 (US8829029, 13) Show SMILES COc1cc(ccn1)C(=O)N[C@H]1CC[C@H](CCN2CCC(CC2)c2noc3cc(F)ccc23)CC1 |r,wU:11.11,wD:14.15,(9.02,1.13,;8.62,2.62,;7.13,3.01,;6.73,4.5,;5.25,4.9,;4.16,3.81,;4.56,2.32,;6.04,1.93,;4.85,6.39,;5.94,7.48,;3.36,6.79,;2.27,5.7,;2.67,4.21,;1.58,3.12,;.09,3.52,;-1,2.43,;-2.48,2.83,;-3.57,1.74,;-3.17,.25,;-4.26,-.84,;-5.75,-.44,;-6.15,1.05,;-5.06,2.14,;-6.84,-1.53,;-8.33,-1.13,;-9.02,-3.7,;-7.53,-4.1,;-7.13,-5.59,;-5.64,-5.99,;-5.25,-7.48,;-4.56,-4.9,;-4.95,-3.41,;-6.44,-3.01,;-.31,5.01,;.78,6.1,)| Show InChI InChI=1S/C27H33FN4O3/c1-34-25-16-20(8-12-29-25)27(33)30-22-5-2-18(3-6-22)9-13-32-14-10-19(11-15-32)26-23-7-4-21(28)17-24(23)35-31-26/h4,7-8,12,16-19,22H,2-3,5-6,9-11,13-15H2,1H3,(H,30,33)/t18-,22-	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.74	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, resuspended in assay buffer (D2, D3: 50 mM Tris-HCl, 120 mM NaCl, 5 mM MgCl2, 1 mM EDTA, 5 mM KC...				US Patent US8829029 (2014) BindingDB Entry DOI: 10.7270/Q22B8WSS
					More data for this Ligand-Target Pair