Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'fonquerna pou' and Initial = 's'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/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))	BDBM221898 (US9315463, 1) Show SMILES CN(CCCCCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:13.13,30.35,(5.28,4.23,;5.28,2.69,;3.94,1.93,;2.61,2.69,;1.27,1.93,;-.06,2.69,;-1.39,1.93,;-2.73,2.69,;-4.06,1.93,;-5.39,2.69,;-6.73,1.93,;-8.06,2.69,;-9.39,1.93,;-10.73,2.69,;-10.73,4.23,;-12.06,1.93,;-13.4,2.69,;-14.73,1.93,;-14.73,.38,;-16.06,-.38,;-13.4,-.38,;-13.4,-1.93,;-12.06,-2.69,;-12.06,-4.23,;-10.73,-1.93,;-10.73,-.38,;-12.06,.38,;6.61,1.93,;6.61,.38,;7.94,-.38,;9.28,.38,;9.28,1.93,;7.94,2.69,;10.61,-.38,;11.94,.38,;11.94,1.93,;13.28,-.38,;14.61,-1.15,;12.51,-1.72,;10.97,-1.72,;10.49,-3.18,;11.74,-4.09,;12.98,-3.18,;14.05,.95,;15.59,.95,;16.06,2.41,;14.82,3.32,;13.57,2.41,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.200	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221909 (US9315463, 25) Show SMILES COc1cc(OCCCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-5.39,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;5.28,-.76,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-4.06,3.09,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.300	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221910 (US9315463, 26) Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2NC(=O)COc12 |r,wU:41.45,16.19,wD:13.12,(-2.73,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;-.06,-.76,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;5.28,-.76,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-4.06,3.09,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,)| Show InChI InChI=1S/C38H43ClN4O10S2/c1-43(23-7-9-24(10-8-23)53-36(47)38(49,31-5-3-15-54-31)32-6-4-16-55-32)13-14-51-37(48)41-27-18-30(50-2)22(17-26(27)39)19-40-20-29(45)25-11-12-28(44)34-35(25)52-21-33(46)42-34/h3-6,11-12,15-18,23-24,29,40,44-45,49H,7-10,13-14,19-21H2,1-2H3,(H,41,48)(H,42,46)/t23-,24-,29-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.380	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221907 (US9315463, 20) Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,15.18,wD:12.11,(-4.06,3.86,;-2.73,3.09,;-2.73,1.55,;-1.39,.78,;-1.39,-.76,;-.06,-1.53,;1.27,-.76,;1.27,.78,;2.61,-1.53,;3.94,-.76,;5.28,-1.53,;5.28,-3.07,;6.61,-.76,;7.94,-1.53,;9.28,-.76,;9.28,.78,;7.94,1.55,;6.61,.78,;10.61,1.55,;11.94,.78,;11.94,-.76,;13.28,1.55,;14.61,2.32,;14.05,.22,;13.57,-1.25,;14.82,-2.15,;16.06,-1.25,;15.59,.22,;12.51,2.89,;13.41,4.13,;12.51,5.38,;11.04,4.9,;11.04,3.36,;-2.73,-1.53,;-2.73,-3.07,;-4.06,-.76,;-4.06,.78,;-5.39,1.55,;-6.73,.78,;-8.06,1.55,;-9.39,.78,;-10.73,1.55,;-10.73,3.09,;-12.06,.78,;-13.4,1.55,;-14.73,.78,;-14.73,-.76,;-16.06,-1.53,;-13.4,-1.53,;-13.4,-3.07,;-12.06,-3.84,;-12.06,-5.38,;-10.73,-3.07,;-10.73,-1.53,;-12.06,-.76,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.700	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221904 (US9315463, 15) Show SMILES COc1cc(NC(=O)CCCN[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-5.39,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;-.06,-.76,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-4.06,3.09,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221900 (US9315463, 9) Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-7.85,3.08,;-6.52,3.85,;-5.19,3.08,;-3.85,3.85,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;.15,1.54,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;5.48,1.54,;6.82,.77,;8.15,1.54,;8.15,3.08,;6.82,3.85,;9.48,.77,;10.82,1.54,;10.82,3.08,;12.15,.77,;13.49,,;12.15,-.77,;10.91,-1.68,;11.38,-3.14,;12.92,-3.14,;13.4,-1.68,;13.49,1.54,;14.95,1.06,;15.86,2.31,;14.95,3.56,;13.49,3.08,;-2.52,1.54,;-1.18,.77,;-3.85,.77,;-5.19,1.54,;-6.52,.77,;-7.85,1.54,;-9.19,.77,;-10.52,1.54,;-10.52,3.08,;-11.85,.77,;-13.19,1.54,;-14.52,.77,;-14.52,-.77,;-15.86,-1.54,;-13.19,-1.54,;-13.19,-3.08,;-11.85,-3.85,;-11.85,-5.39,;-10.52,-3.08,;-10.52,-1.54,;-11.85,-.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221912 (US9315463, 29) Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,16.19,22.30,wD:13.12,22.23,(-5.85,-3.78,;-4.52,-3.01,;-4.52,-1.47,;-3.19,-.7,;-3.19,.84,;-1.85,1.61,;-.52,.84,;-.52,-.7,;.82,1.61,;2.15,.84,;3.48,1.61,;4.82,.84,;4.82,-.7,;6.15,1.61,;7.48,.84,;8.82,1.61,;8.82,3.15,;7.48,3.92,;6.15,3.15,;10.15,3.92,;11.49,3.15,;11.49,1.61,;12.82,3.92,;14.15,4.69,;12.05,5.26,;12.52,6.72,;11.28,7.63,;10.03,6.72,;10.51,5.26,;14.15,3.15,;14.15,1.61,;15.62,1.14,;16.52,2.38,;15.62,3.63,;-4.52,1.61,;-4.52,3.15,;-5.85,.84,;-5.85,-.7,;-7.19,-1.47,;-8.52,-.7,;-9.85,-1.47,;-11.19,-.7,;-11.19,.84,;-12.52,-1.47,;-13.85,-.7,;-15.19,-1.47,;-15.19,-3.01,;-16.52,-3.78,;-13.85,-3.78,;-13.85,-5.32,;-12.52,-6.09,;-12.52,-7.63,;-11.19,-5.32,;-11.19,-3.78,;-12.52,-3.01,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221899 (US9315463, 2) Show SMILES CN(CCOc1ccc(CCNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:13.13,32.38,(4.61,3.07,;4.61,1.53,;3.27,.76,;1.94,1.53,;.61,.76,;-.73,1.53,;-2.06,.76,;-3.39,1.53,;-3.39,3.07,;-4.73,3.84,;-6.06,3.07,;-7.39,3.84,;-8.73,3.07,;-10.06,3.84,;-10.06,5.38,;-11.4,3.07,;-12.73,3.84,;-14.06,3.07,;-14.06,1.53,;-15.4,.76,;-12.73,.76,;-12.73,-.78,;-11.4,-1.55,;-11.4,-3.09,;-10.06,-.78,;-10.06,.76,;-11.4,1.53,;-2.06,3.84,;-.73,3.07,;5.94,.76,;5.94,-.78,;7.28,-1.55,;8.61,-.78,;8.61,.76,;7.28,1.53,;9.94,-1.55,;11.28,-.78,;11.28,.76,;12.61,-1.55,;13.94,-2.32,;13.38,-.22,;14.92,-.22,;15.4,1.25,;14.15,2.15,;12.9,1.25,;11.84,-2.89,;10.38,-3.36,;10.38,-4.9,;11.84,-5.38,;12.75,-4.13,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221911 (US9315463, 28) Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.46,16.19,22.22,wD:13.12,22.23,(-6.31,-3.88,;-4.98,-3.11,;-4.98,-1.57,;-3.64,-.8,;-3.64,.74,;-2.31,1.51,;-.98,.74,;-.98,-.8,;.36,1.51,;1.69,.74,;3.02,1.51,;4.36,.74,;4.36,-.8,;5.69,1.51,;7.03,.74,;8.36,1.51,;8.36,3.05,;7.03,3.82,;5.69,3.05,;9.69,3.82,;11.03,3.05,;11.03,1.51,;12.36,3.82,;13.13,2.49,;12.36,5.36,;13.61,6.27,;13.13,7.73,;11.59,7.73,;11.11,6.27,;13.9,3.82,;14.67,2.49,;16.21,2.49,;16.98,3.82,;16.21,5.15,;14.67,5.15,;-4.98,1.51,;-4.98,3.05,;-6.31,.74,;-6.31,-.8,;-7.64,-1.57,;-8.98,-.8,;-10.31,-1.57,;-11.65,-.8,;-11.65,.74,;-12.98,-1.57,;-14.31,-.8,;-15.65,-1.57,;-15.65,-3.11,;-16.98,-3.88,;-14.31,-3.88,;-14.31,-5.42,;-12.98,-6.19,;-12.98,-7.73,;-11.65,-5.42,;-11.65,-3.88,;-12.98,-3.11,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221908 (US9315463, 22) Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C#N |r,wU:40.44,16.19,wD:13.12,(-5.39,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;-.06,-.76,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;5.28,-.76,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,;-4.06,3.09,;-4.06,4.63,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221902 (US9315463, 12) Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,13.12,wD:16.19,(-5.85,-3.32,;-4.52,-2.55,;-4.52,-1.01,;-3.19,-.24,;-3.19,1.3,;-1.85,2.07,;-.52,1.3,;-.52,-.24,;.82,2.07,;2.15,1.3,;3.48,2.07,;4.82,1.3,;4.82,-.24,;6.15,2.07,;6.15,3.61,;7.48,4.38,;8.82,3.61,;8.82,2.07,;7.48,1.3,;10.15,4.38,;11.49,3.61,;11.49,2.07,;12.82,4.38,;12.05,5.72,;13.59,3.05,;15.13,3.05,;15.6,1.58,;14.36,.68,;13.11,1.58,;14.15,5.15,;14.15,6.69,;15.62,7.17,;16.52,5.92,;15.62,4.68,;-4.52,2.07,;-4.52,3.61,;-5.85,1.3,;-5.85,-.24,;-7.19,-1.01,;-8.52,-.24,;-9.85,-1.01,;-11.19,-.24,;-11.19,1.3,;-12.52,-1.01,;-13.85,-.24,;-15.19,-1.01,;-15.19,-2.55,;-16.52,-3.32,;-13.85,-3.32,;-13.85,-4.86,;-12.52,-5.63,;-12.52,-7.17,;-11.19,-4.86,;-11.19,-3.32,;-12.52,-2.55,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221902 (US9315463, 12) Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,13.12,wD:16.19,(-5.85,-3.32,;-4.52,-2.55,;-4.52,-1.01,;-3.19,-.24,;-3.19,1.3,;-1.85,2.07,;-.52,1.3,;-.52,-.24,;.82,2.07,;2.15,1.3,;3.48,2.07,;4.82,1.3,;4.82,-.24,;6.15,2.07,;6.15,3.61,;7.48,4.38,;8.82,3.61,;8.82,2.07,;7.48,1.3,;10.15,4.38,;11.49,3.61,;11.49,2.07,;12.82,4.38,;12.05,5.72,;13.59,3.05,;15.13,3.05,;15.6,1.58,;14.36,.68,;13.11,1.58,;14.15,5.15,;14.15,6.69,;15.62,7.17,;16.52,5.92,;15.62,4.68,;-4.52,2.07,;-4.52,3.61,;-5.85,1.3,;-5.85,-.24,;-7.19,-1.01,;-8.52,-.24,;-9.85,-1.01,;-11.19,-.24,;-11.19,1.3,;-12.52,-1.01,;-13.85,-.24,;-15.19,-1.01,;-15.19,-2.55,;-16.52,-3.32,;-13.85,-3.32,;-13.85,-4.86,;-12.52,-5.63,;-12.52,-7.17,;-11.19,-4.86,;-11.19,-3.32,;-12.52,-2.55,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221906 (US9315463, 18) Show SMILES CN(CCC(=O)Nc1cc(F)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1F)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:15.15,35.41,wD:32.34,(4.61,5.39,;4.61,3.85,;3.27,3.08,;1.94,3.85,;.61,3.08,;.61,1.54,;-.73,3.85,;-2.06,3.08,;-2.06,1.54,;-3.39,.77,;-3.39,-.77,;-4.73,1.54,;-6.06,.77,;-7.39,1.54,;-8.73,.77,;-10.06,1.54,;-10.06,3.08,;-11.4,.77,;-12.73,1.54,;-14.06,.77,;-14.06,-.77,;-15.4,-1.54,;-12.73,-1.54,;-12.73,-3.08,;-11.4,-3.85,;-11.4,-5.39,;-10.06,-3.08,;-10.06,-1.54,;-11.4,-.77,;-4.73,3.08,;-3.39,3.85,;-3.39,5.39,;5.94,3.08,;5.94,1.54,;7.28,.77,;8.61,1.54,;8.61,3.08,;7.28,3.85,;9.94,.77,;11.28,1.54,;11.28,3.08,;12.61,.77,;13.94,,;13.38,2.1,;12.9,3.57,;14.15,4.47,;15.4,3.57,;14.92,2.1,;11.84,-.56,;10.38,-1.04,;10.38,-2.58,;11.84,-3.06,;12.75,-1.81,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221910 (US9315463, 26) Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2NC(=O)COc12 |r,wU:41.45,16.19,wD:13.12,(-2.73,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;-.06,-.76,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;5.28,-.76,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-4.06,3.09,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,)| Show InChI InChI=1S/C38H43ClN4O10S2/c1-43(23-7-9-24(10-8-23)53-36(47)38(49,31-5-3-15-54-31)32-6-4-16-55-32)13-14-51-37(48)41-27-18-30(50-2)22(17-26(27)39)19-40-20-29(45)25-11-12-28(44)34-35(25)52-21-33(46)42-34/h3-6,11-12,15-18,23-24,29,40,44-45,49H,7-10,13-14,19-21H2,1-2H3,(H,41,48)(H,42,46)/t23-,24-,29-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.70	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221905 (US9315463, 16) Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-2.06,-1.54,;-3.39,-.77,;-3.39,.77,;-2.06,1.54,;-2.06,3.08,;-.73,3.85,;.61,3.08,;.61,1.54,;1.94,3.85,;3.27,3.08,;4.61,3.85,;4.61,5.39,;5.94,3.08,;5.94,1.54,;7.28,.77,;8.61,1.54,;8.61,3.08,;7.28,3.85,;9.94,.77,;11.28,1.54,;11.28,3.08,;12.61,.77,;13.94,,;13.38,2.1,;12.9,3.57,;14.15,4.47,;15.4,3.57,;14.92,2.1,;11.84,-.56,;10.38,-1.04,;10.38,-2.58,;11.84,-3.06,;12.75,-1.81,;-3.39,3.85,;-3.39,5.39,;-4.73,3.08,;-4.73,1.54,;-6.06,.77,;-7.39,1.54,;-8.73,.77,;-10.06,1.54,;-10.06,3.08,;-11.4,.77,;-12.73,1.54,;-14.06,.77,;-14.06,-.77,;-15.4,-1.54,;-12.73,-1.54,;-12.73,-3.08,;-11.4,-3.85,;-11.4,-5.39,;-10.06,-3.08,;-10.06,-1.54,;-11.4,-.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102482 (US8536165, 81) Show SMILES OC(=O)c1cc(ccc1Nc1cnc(-c2ccccc2)c(c1)C(F)(F)F)C1CC1 Show InChI InChI=1S/C22H17F3N2O2/c23-22(24,25)18-11-16(12-26-20(18)14-4-2-1-3-5-14)27-19-9-8-15(13-6-7-13)10-17(19)21(28)29/h1-5,8-13,27H,6-7H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221904 (US9315463, 15) Show SMILES COc1cc(NC(=O)CCCN[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-5.39,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;-.06,-.76,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-4.06,3.09,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221903 (US9315463, 13) Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@](C)(CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,15.19,wD:12.11,15.15,(-4.73,-1.54,;-3.39,-.77,;-3.39,.77,;-2.06,1.54,;-2.06,3.08,;-.73,3.85,;.61,3.08,;.61,1.54,;1.94,3.85,;3.27,3.08,;4.61,3.85,;4.61,5.39,;5.94,3.08,;5.94,1.54,;7.28,.77,;8.61,1.54,;9.94,2.31,;8.61,3.08,;7.28,3.85,;9.94,.77,;11.28,1.54,;11.28,3.08,;12.61,.77,;13.94,,;13.38,2.1,;12.9,3.57,;14.15,4.47,;15.4,3.57,;14.92,2.1,;11.84,-.56,;10.38,-1.04,;10.38,-2.58,;11.84,-3.06,;12.75,-1.81,;-3.39,3.85,;-3.39,5.39,;-4.73,3.08,;-4.73,1.54,;-6.06,.77,;-7.39,1.54,;-8.73,.77,;-10.06,1.54,;-10.06,3.08,;-11.4,.77,;-12.73,1.54,;-14.06,.77,;-14.06,-.77,;-15.4,-1.54,;-12.73,-1.54,;-12.73,-3.08,;-11.4,-3.85,;-11.4,-5.39,;-10.06,-3.08,;-10.06,-1.54,;-11.4,-.77,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.10	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221903 (US9315463, 13) Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@](C)(CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,15.19,wD:12.11,15.15,(-4.73,-1.54,;-3.39,-.77,;-3.39,.77,;-2.06,1.54,;-2.06,3.08,;-.73,3.85,;.61,3.08,;.61,1.54,;1.94,3.85,;3.27,3.08,;4.61,3.85,;4.61,5.39,;5.94,3.08,;5.94,1.54,;7.28,.77,;8.61,1.54,;9.94,2.31,;8.61,3.08,;7.28,3.85,;9.94,.77,;11.28,1.54,;11.28,3.08,;12.61,.77,;13.94,,;13.38,2.1,;12.9,3.57,;14.15,4.47,;15.4,3.57,;14.92,2.1,;11.84,-.56,;10.38,-1.04,;10.38,-2.58,;11.84,-3.06,;12.75,-1.81,;-3.39,3.85,;-3.39,5.39,;-4.73,3.08,;-4.73,1.54,;-6.06,.77,;-7.39,1.54,;-8.73,.77,;-10.06,1.54,;-10.06,3.08,;-11.4,.77,;-12.73,1.54,;-14.06,.77,;-14.06,-.77,;-15.4,-1.54,;-12.73,-1.54,;-12.73,-3.08,;-11.4,-3.85,;-11.4,-5.39,;-10.06,-3.08,;-10.06,-1.54,;-11.4,-.77,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221901 (US9315463, 10) Show SMILES CN(CCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1Cl)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:14.14,34.40,wD:31.33,(4.15,5.39,;4.15,3.85,;2.82,3.08,;1.48,3.85,;.15,3.08,;.15,1.54,;-1.18,3.85,;-2.52,3.08,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-6.52,.77,;-7.85,1.54,;-9.19,.77,;-10.52,1.54,;-10.52,3.08,;-11.85,.77,;-13.19,1.54,;-14.52,.77,;-14.52,-.77,;-15.86,-1.54,;-13.19,-1.54,;-13.19,-3.08,;-11.85,-3.85,;-11.85,-5.39,;-10.52,-3.08,;-10.52,-1.54,;-11.85,-.77,;-5.19,3.08,;-3.85,3.85,;-3.85,5.39,;5.48,3.08,;5.48,1.54,;6.82,.77,;8.15,1.54,;8.15,3.08,;6.82,3.85,;9.48,.77,;10.82,1.54,;10.82,3.08,;12.15,.77,;13.49,,;12.15,-.77,;13.4,-1.68,;12.92,-3.14,;11.38,-3.14,;10.91,-1.68,;13.49,1.54,;14.95,1.06,;15.86,2.31,;14.95,3.56,;13.49,3.08,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102488 (US8536165, 92) Show SMILES OC(=O)c1cc(ccc1Nc1cnc(nc1)-c1ccccc1Cl)C1CC1 Show InChI InChI=1S/C20H16ClN3O2/c21-17-4-2-1-3-15(17)19-22-10-14(11-23-19)24-18-8-7-13(12-5-6-12)9-16(18)20(25)26/h1-4,7-12,24H,5-6H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221912 (US9315463, 29) Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,16.19,22.30,wD:13.12,22.23,(-5.85,-3.78,;-4.52,-3.01,;-4.52,-1.47,;-3.19,-.7,;-3.19,.84,;-1.85,1.61,;-.52,.84,;-.52,-.7,;.82,1.61,;2.15,.84,;3.48,1.61,;4.82,.84,;4.82,-.7,;6.15,1.61,;7.48,.84,;8.82,1.61,;8.82,3.15,;7.48,3.92,;6.15,3.15,;10.15,3.92,;11.49,3.15,;11.49,1.61,;12.82,3.92,;14.15,4.69,;12.05,5.26,;12.52,6.72,;11.28,7.63,;10.03,6.72,;10.51,5.26,;14.15,3.15,;14.15,1.61,;15.62,1.14,;16.52,2.38,;15.62,3.63,;-4.52,1.61,;-4.52,3.15,;-5.85,.84,;-5.85,-.7,;-7.19,-1.47,;-8.52,-.7,;-9.85,-1.47,;-11.19,-.7,;-11.19,.84,;-12.52,-1.47,;-13.85,-.7,;-15.19,-1.47,;-15.19,-3.01,;-16.52,-3.78,;-13.85,-3.78,;-13.85,-5.32,;-12.52,-6.09,;-12.52,-7.63,;-11.19,-5.32,;-11.19,-3.78,;-12.52,-3.01,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.80	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102485 (US8536165, 86) Show SMILES OC(=O)c1cc(ccc1Nc1ccc(nc1)-c1ccccc1Cl)C1CC1 Show InChI InChI=1S/C21H17ClN2O2/c22-18-4-2-1-3-16(18)19-10-8-15(12-23-19)24-20-9-7-14(13-5-6-13)11-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221908 (US9315463, 22) Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C#N |r,wU:40.44,16.19,wD:13.12,(-5.39,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;-.06,-.76,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;5.28,-.76,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,;-4.06,3.09,;-4.06,4.63,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.5	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221905 (US9315463, 16) Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(F)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-2.06,-1.54,;-3.39,-.77,;-3.39,.77,;-2.06,1.54,;-2.06,3.08,;-.73,3.85,;.61,3.08,;.61,1.54,;1.94,3.85,;3.27,3.08,;4.61,3.85,;4.61,5.39,;5.94,3.08,;5.94,1.54,;7.28,.77,;8.61,1.54,;8.61,3.08,;7.28,3.85,;9.94,.77,;11.28,1.54,;11.28,3.08,;12.61,.77,;13.94,,;13.38,2.1,;12.9,3.57,;14.15,4.47,;15.4,3.57,;14.92,2.1,;11.84,-.56,;10.38,-1.04,;10.38,-2.58,;11.84,-3.06,;12.75,-1.81,;-3.39,3.85,;-3.39,5.39,;-4.73,3.08,;-4.73,1.54,;-6.06,.77,;-7.39,1.54,;-8.73,.77,;-10.06,1.54,;-10.06,3.08,;-11.4,.77,;-12.73,1.54,;-14.06,.77,;-14.06,-.77,;-15.4,-1.54,;-12.73,-1.54,;-12.73,-3.08,;-11.4,-3.85,;-11.4,-5.39,;-10.06,-3.08,;-10.06,-1.54,;-11.4,-.77,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102476 (US8536165, 73) Show SMILES Cc1cc(Nc2ccc(cc2C(O)=O)C2CC2)cnc1-c1cccc(OC(F)(F)F)c1 Show InChI InChI=1S/C23H19F3N2O3/c1-13-9-17(28-20-8-7-15(14-5-6-14)11-19(20)22(29)30)12-27-21(13)16-3-2-4-18(10-16)31-23(24,25)26/h2-4,7-12,14,28H,5-6H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102480 (US8536165, 77) Show SMILES Cc1ccc(Nc2cnc(c(C)c2)-c2ccccc2F)c(c1)C(O)=O Show InChI InChI=1S/C20H17FN2O2/c1-12-7-8-18(16(9-12)20(24)25)23-14-10-13(2)19(22-11-14)15-5-3-4-6-17(15)21/h3-11,23H,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221907 (US9315463, 20) Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:41.45,15.18,wD:12.11,(-4.06,3.86,;-2.73,3.09,;-2.73,1.55,;-1.39,.78,;-1.39,-.76,;-.06,-1.53,;1.27,-.76,;1.27,.78,;2.61,-1.53,;3.94,-.76,;5.28,-1.53,;5.28,-3.07,;6.61,-.76,;7.94,-1.53,;9.28,-.76,;9.28,.78,;7.94,1.55,;6.61,.78,;10.61,1.55,;11.94,.78,;11.94,-.76,;13.28,1.55,;14.61,2.32,;14.05,.22,;13.57,-1.25,;14.82,-2.15,;16.06,-1.25,;15.59,.22,;12.51,2.89,;13.41,4.13,;12.51,5.38,;11.04,4.9,;11.04,3.36,;-2.73,-1.53,;-2.73,-3.07,;-4.06,-.76,;-4.06,.78,;-5.39,1.55,;-6.73,.78,;-8.06,1.55,;-9.39,.78,;-10.73,1.55,;-10.73,3.09,;-12.06,.78,;-13.4,1.55,;-14.73,.78,;-14.73,-.76,;-16.06,-1.53,;-13.4,-1.53,;-13.4,-3.07,;-12.06,-3.84,;-12.06,-5.38,;-10.73,-3.07,;-10.73,-1.53,;-12.06,-.76,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.30	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102477 (US8536165, 74) Show SMILES Cc1cc(Nc2ccc(cc2C(O)=O)C2CC2)cnc1-c1ccccc1 Show InChI InChI=1S/C22H20N2O2/c1-14-11-18(13-23-21(14)16-5-3-2-4-6-16)24-20-10-9-17(15-7-8-15)12-19(20)22(25)26/h2-6,9-13,15,24H,7-8H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221898 (US9315463, 1) Show SMILES CN(CCCCCCCCCNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12)C1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:13.13,30.35,(5.28,4.23,;5.28,2.69,;3.94,1.93,;2.61,2.69,;1.27,1.93,;-.06,2.69,;-1.39,1.93,;-2.73,2.69,;-4.06,1.93,;-5.39,2.69,;-6.73,1.93,;-8.06,2.69,;-9.39,1.93,;-10.73,2.69,;-10.73,4.23,;-12.06,1.93,;-13.4,2.69,;-14.73,1.93,;-14.73,.38,;-16.06,-.38,;-13.4,-.38,;-13.4,-1.93,;-12.06,-2.69,;-12.06,-4.23,;-10.73,-1.93,;-10.73,-.38,;-12.06,.38,;6.61,1.93,;6.61,.38,;7.94,-.38,;9.28,.38,;9.28,1.93,;7.94,2.69,;10.61,-.38,;11.94,.38,;11.94,1.93,;13.28,-.38,;14.61,-1.15,;12.51,-1.72,;10.97,-1.72,;10.49,-3.18,;11.74,-4.09,;12.98,-3.18,;14.05,.95,;15.59,.95,;16.06,2.41,;14.82,3.32,;13.57,2.41,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.40	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221901 (US9315463, 10) Show SMILES CN(CCC(=O)Nc1ccc(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1Cl)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:14.14,34.40,wD:31.33,(4.15,5.39,;4.15,3.85,;2.82,3.08,;1.48,3.85,;.15,3.08,;.15,1.54,;-1.18,3.85,;-2.52,3.08,;-2.52,1.54,;-3.85,.77,;-5.19,1.54,;-6.52,.77,;-7.85,1.54,;-9.19,.77,;-10.52,1.54,;-10.52,3.08,;-11.85,.77,;-13.19,1.54,;-14.52,.77,;-14.52,-.77,;-15.86,-1.54,;-13.19,-1.54,;-13.19,-3.08,;-11.85,-3.85,;-11.85,-5.39,;-10.52,-3.08,;-10.52,-1.54,;-11.85,-.77,;-5.19,3.08,;-3.85,3.85,;-3.85,5.39,;5.48,3.08,;5.48,1.54,;6.82,.77,;8.15,1.54,;8.15,3.08,;6.82,3.85,;9.48,.77,;10.82,1.54,;10.82,3.08,;12.15,.77,;13.49,,;12.15,-.77,;13.4,-1.68,;12.92,-3.14,;11.38,-3.14,;10.91,-1.68,;13.49,1.54,;14.95,1.06,;15.86,2.31,;14.95,3.56,;13.49,3.08,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.70	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102483 (US8536165, 82) Show SMILES COc1cccc(c1)-c1ncc(Nc2ccc(cc2C(O)=O)C2CC2)cc1C(F)(F)F Show InChI InChI=1S/C23H19F3N2O3/c1-31-17-4-2-3-15(9-17)21-19(23(24,25)26)11-16(12-27-21)28-20-8-7-14(13-5-6-13)10-18(20)22(29)30/h2-4,7-13,28H,5-6H2,1H3,(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102497 (US8536165, 107) Show SMILES OC(=O)c1cc(ccc1Nc1ccc(nc1)-c1ccccc1F)C1CC1 Show InChI InChI=1S/C21H17FN2O2/c22-18-4-2-1-3-16(18)19-10-8-15(12-23-19)24-20-9-7-14(13-5-6-13)11-17(20)21(25)26/h1-4,7-13,24H,5-6H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221900 (US9315463, 9) Show SMILES COc1cc(NC(=O)CCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-7.85,3.08,;-6.52,3.85,;-5.19,3.08,;-3.85,3.85,;-2.52,3.08,;-1.18,3.85,;.15,3.08,;.15,1.54,;1.48,3.85,;2.82,3.08,;4.15,3.85,;4.15,5.39,;5.48,3.08,;5.48,1.54,;6.82,.77,;8.15,1.54,;8.15,3.08,;6.82,3.85,;9.48,.77,;10.82,1.54,;10.82,3.08,;12.15,.77,;13.49,,;12.15,-.77,;10.91,-1.68,;11.38,-3.14,;12.92,-3.14,;13.4,-1.68,;13.49,1.54,;14.95,1.06,;15.86,2.31,;14.95,3.56,;13.49,3.08,;-2.52,1.54,;-1.18,.77,;-3.85,.77,;-5.19,1.54,;-6.52,.77,;-7.85,1.54,;-9.19,.77,;-10.52,1.54,;-10.52,3.08,;-11.85,.77,;-13.19,1.54,;-14.52,.77,;-14.52,-.77,;-15.86,-1.54,;-13.19,-1.54,;-13.19,-3.08,;-11.85,-3.85,;-11.85,-5.39,;-10.52,-3.08,;-10.52,-1.54,;-11.85,-.77,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM221911 (US9315463, 28) Show SMILES COc1cc(NC(=O)OCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)[C@@](O)(C2CCCC2)c2ccccc2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:42.46,16.19,22.22,wD:13.12,22.23,(-6.31,-3.88,;-4.98,-3.11,;-4.98,-1.57,;-3.64,-.8,;-3.64,.74,;-2.31,1.51,;-.98,.74,;-.98,-.8,;.36,1.51,;1.69,.74,;3.02,1.51,;4.36,.74,;4.36,-.8,;5.69,1.51,;7.03,.74,;8.36,1.51,;8.36,3.05,;7.03,3.82,;5.69,3.05,;9.69,3.82,;11.03,3.05,;11.03,1.51,;12.36,3.82,;13.13,2.49,;12.36,5.36,;13.61,6.27,;13.13,7.73,;11.59,7.73,;11.11,6.27,;13.9,3.82,;14.67,2.49,;16.21,2.49,;16.98,3.82,;16.21,5.15,;14.67,5.15,;-4.98,1.51,;-4.98,3.05,;-6.31,.74,;-6.31,-.8,;-7.64,-1.57,;-8.98,-.8,;-10.31,-1.57,;-11.65,-.8,;-11.65,.74,;-12.98,-1.57,;-14.31,-.8,;-15.65,-1.57,;-15.65,-3.11,;-16.98,-3.88,;-14.31,-3.88,;-14.31,-5.42,;-12.98,-6.19,;-12.98,-7.73,;-11.65,-5.42,;-11.65,-3.88,;-12.98,-3.11,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102493 (US8536165, 97) Show SMILES OC(=O)c1cc(ccc1Nc1cnc(nc1)-c1ccccc1C(F)(F)F)C1CC1 Show InChI InChI=1S/C21H16F3N3O2/c22-21(23,24)17-4-2-1-3-15(17)19-25-10-14(11-26-19)27-18-8-7-13(12-5-6-12)9-16(18)20(28)29/h1-4,7-12,27H,5-6H2,(H,28,29)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102490 (US8536165, 94) Show SMILES Cc1ccc(Nc2cnc(c(C)c2)-c2cccc(c2)C(=O)N2CCCC2)c(c1)C(O)=O Show InChI InChI=1S/C25H25N3O3/c1-16-8-9-22(21(12-16)25(30)31)27-20-13-17(2)23(26-15-20)18-6-5-7-19(14-18)24(29)28-10-3-4-11-28/h5-9,12-15,27H,3-4,10-11H2,1-2H3,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	9	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221909 (US9315463, 25) Show SMILES COc1cc(OCCCCN(C)[C@H]2CC[C@@H](CC2)OC(=O)C(O)(c2cccs2)c2cccs2)c(Cl)cc1CNC[C@H](O)c1ccc(O)c2[nH]c(=O)ccc12 |r,wU:40.44,15.18,wD:12.11,(-5.39,-3.84,;-4.06,-3.07,;-4.06,-1.53,;-2.73,-.76,;-2.73,.78,;-1.39,1.55,;-.06,.78,;1.27,1.55,;2.61,.78,;3.94,1.55,;5.28,.78,;5.28,-.76,;6.61,1.55,;7.94,.78,;9.28,1.55,;9.28,3.09,;7.94,3.86,;6.61,3.09,;10.61,3.86,;11.94,3.09,;11.94,1.55,;13.28,3.86,;14.61,4.63,;14.05,2.53,;13.57,1.06,;14.82,.16,;16.06,1.06,;15.59,2.53,;12.51,5.2,;13.41,6.44,;12.51,7.69,;11.04,7.21,;11.04,5.67,;-4.06,1.55,;-4.06,3.09,;-5.39,.78,;-5.39,-.76,;-6.73,-1.53,;-8.06,-.76,;-9.39,-1.53,;-10.73,-.76,;-10.73,.78,;-12.06,-1.53,;-13.4,-.76,;-14.73,-1.53,;-14.73,-3.07,;-16.06,-3.84,;-13.4,-3.84,;-13.4,-5.38,;-12.06,-6.15,;-12.06,-7.69,;-10.73,-5.38,;-10.73,-3.84,;-12.06,-3.07,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.60	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102479 (US8536165, 76) Show SMILES Cc1ccc(Nc2cnc(c(C)c2)-c2cccc(Cl)c2)c(c1)C(O)=O Show InChI InChI=1S/C20H17ClN2O2/c1-12-6-7-18(17(8-12)20(24)25)23-16-9-13(2)19(22-11-16)14-4-3-5-15(21)10-14/h3-11,23H,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102492 (US8536165, 96) Show SMILES OC(=O)c1cc(ccc1Nc1cnc(nc1)-c1ccccc1F)C1CC1 Show InChI InChI=1S/C20H16FN3O2/c21-17-4-2-1-3-15(17)19-22-10-14(11-23-19)24-18-8-7-13(12-5-6-12)9-16(18)20(25)26/h1-4,7-12,24H,5-6H2,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102454 (US8536165, 19) Show SMILES OC(=O)c1cc(ccc1Nc1cnc(-c2ccccc2)c(c1)-c1ccccc1)C1CC1 Show InChI InChI=1S/C27H22N2O2/c30-27(31)24-15-21(18-11-12-18)13-14-25(24)29-22-16-23(19-7-3-1-4-8-19)26(28-17-22)20-9-5-2-6-10-20/h1-10,13-18,29H,11-12H2,(H,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102469 (US8536165, 62) Show SMILES CC(C)Oc1cccc(c1)-c1ncc(Nc2ccc(C)cc2C(O)=O)cc1C Show InChI InChI=1S/C23H24N2O3/c1-14(2)28-19-7-5-6-17(12-19)22-16(4)11-18(13-24-22)25-21-9-8-15(3)10-20(21)23(26)27/h5-14,25H,1-4H3,(H,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102494 (US8536165, 98) Show SMILES Cc1ccccc1-c1ncc(Nc2ccc(cc2C(O)=O)C2CC2)cn1 Show InChI InChI=1S/C21H19N3O2/c1-13-4-2-3-5-17(13)20-22-11-16(12-23-20)24-19-9-8-15(14-6-7-14)10-18(19)21(25)26/h2-5,8-12,14,24H,6-7H2,1H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102491 (US8536165, 95) Show SMILES Cc1ccc(Nc2cnc(c(C)c2)-c2cccc(c2)C(=O)NC2CC2)c(c1)C(O)=O Show InChI InChI=1S/C24H23N3O3/c1-14-6-9-21(20(10-14)24(29)30)26-19-11-15(2)22(25-13-19)16-4-3-5-17(12-16)23(28)27-18-7-8-18/h3-6,9-13,18,26H,7-8H2,1-2H3,(H,27,28)(H,29,30)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102473 (US8536165, 67) Show SMILES COc1cccc(c1)-c1ncc(Nc2ccc(C)cc2C(O)=O)cc1C(F)(F)F Show InChI InChI=1S/C21H17F3N2O3/c1-12-6-7-18(16(8-12)20(27)28)26-14-10-17(21(22,23)24)19(25-11-14)13-4-3-5-15(9-13)29-2/h3-11,26H,1-2H3,(H,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Beta-2 adrenergic receptor (Homo sapiens (Human))	BDBM221906 (US9315463, 18) Show SMILES CN(CCC(=O)Nc1cc(F)c(CNC[C@H](O)c2ccc(O)c3[nH]c(=O)ccc23)cc1F)[C@H]1CC[C@@H](CC1)OC(=O)C(O)(c1cccs1)c1cccs1 |r,wU:15.15,35.41,wD:32.34,(4.61,5.39,;4.61,3.85,;3.27,3.08,;1.94,3.85,;.61,3.08,;.61,1.54,;-.73,3.85,;-2.06,3.08,;-2.06,1.54,;-3.39,.77,;-3.39,-.77,;-4.73,1.54,;-6.06,.77,;-7.39,1.54,;-8.73,.77,;-10.06,1.54,;-10.06,3.08,;-11.4,.77,;-12.73,1.54,;-14.06,.77,;-14.06,-.77,;-15.4,-1.54,;-12.73,-1.54,;-12.73,-3.08,;-11.4,-3.85,;-11.4,-5.39,;-10.06,-3.08,;-10.06,-1.54,;-11.4,-.77,;-4.73,3.08,;-3.39,3.85,;-3.39,5.39,;5.94,3.08,;5.94,1.54,;7.28,.77,;8.61,1.54,;8.61,3.08,;7.28,3.85,;9.94,.77,;11.28,1.54,;11.28,3.08,;12.61,.77,;13.94,,;13.38,2.1,;12.9,3.57,;14.15,4.47,;15.4,3.57,;14.92,2.1,;11.84,-.56,;10.38,-1.04,;10.38,-2.58,;11.84,-3.06,;12.75,-1.81,)| Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	25
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 US9315463 (2016) BindingDB Entry DOI: 10.7270/Q24X56MM
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102470 (US8536165, 64) Show SMILES Cc1ccc(Nc2cnc(c(C)c2)-c2ccccc2Cl)c(c1)C(O)=O Show InChI InChI=1S/C20H17ClN2O2/c1-12-7-8-18(16(9-12)20(24)25)23-14-10-13(2)19(22-11-14)15-5-3-4-6-17(15)21/h3-11,23H,1-2H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102450 (US8536165, 8) Show SMILES Cc1ccc(Nc2cnc(c(F)c2)-c2ccccc2)c(c1)C(O)=O Show InChI InChI=1S/C19H15FN2O2/c1-12-7-8-17(15(9-12)19(23)24)22-14-10-16(20)18(21-11-14)13-5-3-2-4-6-13/h2-11,22H,1H3,(H,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102465 (US8536165, 54) Show SMILES CCOc1ccc(F)c(c1)-c1ccc(Nc2ccc(C)cc2C(O)=O)cn1 Show InChI InChI=1S/C21H19FN2O3/c1-3-27-15-6-7-18(22)16(11-15)19-9-5-14(12-23-19)24-20-8-4-13(2)10-17(20)21(25)26/h4-12,24H,3H2,1-2H3,(H,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair
Dihydroorotate dehydrogenase (quinone), mitochondrial (Homo sapiens (Human))	BDBM102487 (US8536165, 91) Show SMILES Cc1ccc(Nc2ccc(nc2)-c2c(F)cccc2F)c(c1)C(O)=O Show InChI InChI=1S/C19H14F2N2O2/c1-11-5-7-16(13(9-11)19(24)25)23-12-6-8-17(22-10-12)18-14(20)3-2-4-15(18)21/h2-10,23H,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	19	n/a	n/a	n/a	n/a	8.0	n/a
Almirall, S.A. US Patent					Assay Description Inhibition of human DHODH activity assay: DHODH activity and its inhibition were studied using a chromogen reduction assay with DCIP (2,6-dichloroph...				US Patent US8536165 (2013) BindingDB Entry DOI: 10.7270/Q2C24V2G
					More data for this Ligand-Target Pair

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