BDBM339883 US9757383, Example 6::trans-4-[{2-[{[4-({[(2R)-2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydroquinolin-5-yl)ethyl]amino}methyl)phenoxy]acetyl}(methyl)amino]ethyl}(methyl)amino]cyclohexyl hydroxy(di-2-thienyl)acetate

SMILES: CN(CCN(C)C(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1

InChI Key: InChIKey=LICFTXXXFSVXLE-GSZYCOFVSA-N

Data: 2 IC50

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 2 hits for monomerid = 339883   

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
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM339883 (US9757383, Example 6 | trans-4-[{2-[{[4-({[(2R)-2-...) Show SMILES CN(CCN(C)C(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:33.35,17.17,wD:36.42,(-11.8,-7.7,;-13.34,-7.7,;-14.11,-9.03,;-13.34,-10.37,;-11.8,-10.37,;-11.03,-11.7,;-11.03,-9.03,;-10.87,-7.5,;-9.49,-9.03,;-8.72,-7.7,;-7.18,-7.7,;-6.41,-6.37,;-4.87,-6.37,;-4.1,-7.7,;-2.56,-7.7,;-1.79,-9.03,;-.25,-9.03,;.52,-10.37,;-.25,-11.7,;2.06,-10.37,;2.83,-11.7,;4.37,-11.7,;5.14,-10.37,;6.68,-10.37,;4.37,-9.03,;5.14,-7.7,;4.37,-6.37,;5.14,-5.03,;2.83,-6.37,;2.06,-7.7,;2.83,-9.03,;-4.87,-9.03,;-6.41,-9.03,;-14.11,-6.37,;-15.65,-6.37,;-16.42,-5.03,;-15.65,-3.7,;-14.11,-3.7,;-13.34,-5.03,;-16.42,-2.37,;-17.96,-2.37,;-18.73,-3.7,;-18.73,-1.03,;-20.06,-1.8,;-19.5,.3,;-18.87,1.71,;-20.01,2.74,;-21.35,1.97,;-21.03,.46,;-17.39,-.26,;-15.99,-.89,;-14.96,.26,;-15.73,1.59,;-17.23,1.27,)| Show InChI InChI=1S/C40H46N4O8S2/c1-43(27-9-13-29(14-10-27)52-39(49)40(50,34-5-3-21-53-34)35-6-4-22-54-35)19-20-44(2)37(48)25-51-28-11-7-26(8-12-28)23-41-24-33(46)30-15-17-32(45)38-31(30)16-18-36(47)42-38/h3-8,11-12,15-18,21-22,27,29,33,41,45-46,50H,9-10,13-14,19-20,23-25H2,1-2H3,(H,42,47)/t27-,29-,33-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The study of binding to human muscarinic M1, M2, M3, M4 and M5 receptors was performed using commercial membranes (Perkin Elmer) prepared from CHO-K1...				US Patent US9757383 (2017) BindingDB Entry DOI: 10.7270/Q2HX1FSN
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM339883 (US9757383, Example 6 | trans-4-[{2-[{[4-({[(2R)-2-...) Show SMILES CN(CCN(C)C(=O)COc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |wU:33.35,17.17,wD:36.42,(-11.8,-7.7,;-13.34,-7.7,;-14.11,-9.03,;-13.34,-10.37,;-11.8,-10.37,;-11.03,-11.7,;-11.03,-9.03,;-10.87,-7.5,;-9.49,-9.03,;-8.72,-7.7,;-7.18,-7.7,;-6.41,-6.37,;-4.87,-6.37,;-4.1,-7.7,;-2.56,-7.7,;-1.79,-9.03,;-.25,-9.03,;.52,-10.37,;-.25,-11.7,;2.06,-10.37,;2.83,-11.7,;4.37,-11.7,;5.14,-10.37,;6.68,-10.37,;4.37,-9.03,;5.14,-7.7,;4.37,-6.37,;5.14,-5.03,;2.83,-6.37,;2.06,-7.7,;2.83,-9.03,;-4.87,-9.03,;-6.41,-9.03,;-14.11,-6.37,;-15.65,-6.37,;-16.42,-5.03,;-15.65,-3.7,;-14.11,-3.7,;-13.34,-5.03,;-16.42,-2.37,;-17.96,-2.37,;-18.73,-3.7,;-18.73,-1.03,;-20.06,-1.8,;-19.5,.3,;-18.87,1.71,;-20.01,2.74,;-21.35,1.97,;-21.03,.46,;-17.39,-.26,;-15.99,-.89,;-14.96,.26,;-15.73,1.59,;-17.23,1.27,)| Show InChI InChI=1S/C40H46N4O8S2/c1-43(27-9-13-29(14-10-27)52-39(49)40(50,34-5-3-21-53-34)35-6-4-22-54-35)19-20-44(2)37(48)25-51-28-11-7-26(8-12-28)23-41-24-33(46)30-15-17-32(45)38-31(30)16-18-36(47)42-38/h3-8,11-12,15-18,21-22,27,29,33,41,45-46,50H,9-10,13-14,19-20,23-25H2,1-2H3,(H,42,47)/t27-,29-,33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Almirall, S.A. US Patent					Assay Description The study of binding to human adrenergic beta1 and beta2 receptors was performed using commercial membranes prepared from Sf9 cells where they are ov...				US Patent US9757383 (2017) BindingDB Entry DOI: 10.7270/Q2HX1FSN
					More data for this Ligand-Target Pair