Compile Data Set for Download or QSAR

Found 111 hits of ic50 data for polymerid = 49000161,50000839,5537   

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
Adenosine receptor A2a (Mus musculus)	BDBM474329 (7-(3-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin- ...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1ccc(F)n1 Show InChI InChI=1S/C22H16F2N10/c1-12-10-27-18-5-4-13(11-32(12)18)19-20(33-8-6-16(24)30-33)29-22(25)34-21(19)28-17(31-34)9-15-14(23)3-2-7-26-15/h2-8,10-11H,9H2,1H3,(H2,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474284 (7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...) Show SMILES Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H18F2N8/c1-34-13-30-18-9-6-15(11-20(18)34)22-23(14-4-7-16(26)8-5-14)32-25(28)35-24(22)31-21(33-35)12-19-17(27)3-2-10-29-19/h2-11,13H,12H2,1H3,(H2,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474328 (7-(4-fluorophenyl)-2-(2-methoxyethyl)-8-(3-met hyl...) Show SMILES COCCc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C22H20FN7O/c1-13-11-25-18-8-5-15(12-29(13)18)19-20(14-3-6-16(23)7-4-14)27-22(24)30-21(19)26-17(28-30)9-10-31-2/h3-8,11-12H,9-10H2,1-2H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474223 (2-(2,6-difluorobenzyl)-8-(2-(dimethylamino) pyridi...) Show SMILES CN(C)c1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H20F3N7/c1-34(2)21-12-15(10-11-30-21)22-23(14-6-8-16(26)9-7-14)32-25(29)35-24(22)31-20(33-35)13-17-18(27)4-3-5-19(17)28/h3-12H,13H2,1-2H3,(H2,29,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474287 (2-((3-(difluoromethoxy)pyridin-2-yl)methyl)-7- (4-...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12 Show InChI InChI=1S/C24H16F3N9O/c25-15-6-3-13(4-7-15)21-20(14-5-8-19-33-30-12-35(19)11-14)22-31-18(34-36(22)24(28)32-21)10-16-17(37-23(26)27)2-1-9-29-16/h1-9,11-12,23H,10H2,(H2,28,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474330 (7-(4-fluoro-1H-pyrazol-1-yl)-2-((3-fluoropyridin- ...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-n1cc(F)cn1 Show InChI InChI=1S/C22H16F2N10/c1-12-8-27-18-5-4-13(10-32(12)18)19-20(33-11-14(23)9-28-33)30-22(25)34-21(19)29-17(31-34)7-16-15(24)3-2-6-26-16/h2-6,8-11H,7H2,1H3,(H2,25,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474281 (7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3c(F)cccc3F)nn12 Show InChI InChI=1S/C25H19F3N6O2/c26-16-7-4-14(5-8-16)23-22(15-6-9-21(36)33(13-15)10-11-35)24-30-20(32-34(24)25(29)31-23)12-17-18(27)2-1-3-19(17)28/h1-9,13,35H,10-12H2,(H2,29,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474309 (2-((3-fluoropyridin-2-yl)methyl)-8-(3-methylimi da...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C22H16FN9O/c1-12-10-27-17-5-4-13(11-31(12)17)18-19(21-26-7-8-33-21)29-22(24)32-20(18)28-16(30-32)9-15-14(23)3-2-6-25-15/h2-8,10-11H,9H2,1H3,(H2,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474233 (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C25H21F2N7O/c1-14(2)33-13-16(7-10-21(33)35)22-23(15-5-8-17(26)9-6-15)31-25(28)34-24(22)30-20(32-34)12-19-18(27)4-3-11-29-19/h3-11,13-14H,12H2,1-2H3,(H2,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474222 (5-(5-amino-2-(2,6-difluorobenzyl)-7-(4- fluorophen...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H17F3N6O/c1-32-12-14(7-10-20(32)34)21-22(13-5-8-15(25)9-6-13)30-24(28)33-23(21)29-19(31-33)11-16-17(26)3-2-4-18(16)27/h2-10,12H,11H2,1H3,(H2,28,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474292 (5-(5-am i no-2-(2,6-difluorobenzy1)-7-(oxazol-2- y...) Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C23H19F2N7O2/c1-12(2)31-11-13(6-7-18(31)33)19-20(22-27-8-9-34-22)29-23(26)32-21(19)28-17(30-32)10-14-15(24)4-3-5-16(14)25/h3-9,11-12H,10H2,1-2H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474316 (7-(4-fluorophenyl)-8-(3-methylimidazo[l,2-a] pyrid...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(C[C@H]3CCOC3)nc12)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C24H22FN7O/c1-14-11-27-20-7-4-17(12-31(14)20)21-22(16-2-5-18(25)6-3-16)29-24(26)32-23(21)28-19(30-32)10-15-8-9-33-13-15/h2-7,11-12,15H,8-10,13H2,1H3,(H2,26,29)/t15-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474315 (7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a] pyrid...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(CC3CCOC3)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H22FN7O/c1-14-11-27-20-7-4-17(12-31(14)20)21-22(16-2-5-18(25)6-3-16)29-24(26)32-23(21)28-19(30-32)10-15-8-9-33-13-15/h2-7,11-12,15H,8-10,13H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474288 (2-((3-(difluoromethoxy)pyridin-2-yl)methyI)-8- (im...) Show SMILES Nc1nc(-c2ncco2)c(-c2ccc3nncn3c2)c2nc(Cc3ncccc3OC(F)F)nn12 Show InChI InChI=1S/C21H14F2N10O2/c22-20(23)35-13-2-1-5-25-12(13)8-14-28-18-16(11-3-4-15-30-27-10-32(15)9-11)17(19-26-6-7-34-19)29-21(24)33(18)31-14/h1-7,9-10,20H,8H2,(H2,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474300 (7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncccc3c2)c2nc(Cc3ncccc3F)nn12 Show InChI InChI=1S/C26H17F2N7/c27-18-8-5-15(6-9-18)24-23(17-7-10-20-16(13-17)3-1-11-30-20)25-32-22(34-35(25)26(29)33-24)14-21-19(28)4-2-12-31-21/h1-13H,14H2,(H2,29,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474245 (2-(2,6-difluorobenzyl)-7-(4-fluorophenyl)-8-(2- me...) Show SMILES COc1cc(ccn1)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H17F3N6O/c1-34-20-11-14(9-10-29-20)21-22(13-5-7-15(25)8-6-13)31-24(28)33-23(21)30-19(32-33)12-16-17(26)3-2-4-18(16)27/h2-11H,12H2,1H3,(H2,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474335 ((S)-7-(4-fluorophenyl)-8-(3-methylimidazo[1,2-a] p...) Show SMILES CN1CCC[C@H]1Cc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H25FN8/c1-15-13-28-21-10-7-17(14-33(15)21)22-23(16-5-8-18(26)9-6-16)30-25(27)34-24(22)29-20(31-34)12-19-4-3-11-32(19)2/h5-10,13-14,19H,3-4,11-12H2,1-2H3,(H2,27,30)/t19-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474299 (8-(benzo[d]thiazol-6-yl)-7-(4-fluorophenyl)-2- ((3...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3ncsc3c2)c2nc(Cc3ncccc3F)nn12 Show InChI InChI=1S/C24H15F2N7S/c25-15-6-3-13(4-7-15)22-21(14-5-8-17-19(10-14)34-12-29-17)23-30-20(32-33(23)24(27)31-22)11-18-16(26)2-1-9-28-18/h1-10,12H,11H2,(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.60	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474334 (2-(2,6-difluorobenzyl)-8-(3-methylimidazo[l,2-a] p...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCOCC1 Show InChI InChI=1S/C24H22F2N8O/c1-14-12-28-20-6-5-15(13-33(14)20)21-22(32-7-9-35-10-8-32)30-24(27)34-23(21)29-19(31-34)11-16-17(25)3-2-4-18(16)26/h2-6,12-13H,7-11H2,1H3,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474258 (5-[5-amino-7-(4-fluorophenyl)-2-[(3-fluoropyrid in...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(c2)C2CCOC2)c2nc(Cc3c(F)cccc3F)nn12 Show InChI InChI=1S/C27H21F3N6O2/c28-17-7-4-15(5-8-17)25-24(16-6-9-23(37)35(13-16)18-10-11-38-14-18)26-32-22(34-36(26)27(31)33-25)12-19-20(29)2-1-3-21(19)30/h1-9,13,18H,10-12,14H2,(H2,31,33)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474230 (5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...) Show SMILES CCn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19F2N7O/c1-2-32-13-15(7-10-20(32)34)21-22(14-5-8-16(25)9-6-14)30-24(27)33-23(21)29-19(31-33)12-18-17(26)4-3-11-28-18/h3-11,13H,2,12H2,1H3,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474310 (2-((3*fluoropyridin-2-yl)methyl)-N7,N7-dimethy l-8...) Show SMILES CN(C)c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc2ncc(C)n2c1 Show InChI InChI=1S/C21H20FN9/c1-12-10-25-17-7-6-13(11-30(12)17)18-19(29(2)3)27-21(23)31-20(18)26-16(28-31)9-15-14(22)5-4-8-24-15/h4-8,10-11H,9H2,1-3H3,(H2,23,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474301 (2-((3-fluoropyridin-2-yl)methyl)-8-(1-methyl-1H- b...) Show SMILES Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C22H16FN9O/c1-31-11-27-14-5-4-12(9-16(14)31)18-19(21-26-7-8-33-21)29-22(24)32-20(18)28-17(30-32)10-15-13(23)3-2-6-25-15/h2-9,11H,10H2,1H3,(H2,24,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474337 (7-(azetidin-l-yl)-2-(2,6-difluorobenzyl)-8-(3-met ...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCC1 Show InChI InChI=1S/C23H20F2N8/c1-13-11-27-19-7-6-14(12-32(13)19)20-21(31-8-3-9-31)29-23(26)33-22(20)28-18(30-33)10-15-16(24)4-2-5-17(15)25/h2,4-7,11-12H,3,8-10H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474293 (5-(5-amino-2-((3-fluoropyridin-2-yl)methyl)-7- (ox...) Show SMILES CC(C)n1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C22H19FN8O2/c1-12(2)30-11-13(5-6-17(30)32)18-19(21-26-8-9-33-21)28-22(24)31-20(18)27-16(29-31)10-15-14(23)4-3-7-25-15/h3-9,11-12H,10H2,1-2H3,(H2,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474224 (5-(5-amino-2-[[3-(difluoromethoxy)pyridin-2-yl] me...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3OC(F)F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H18F3N7O2/c1-33-12-14(6-9-19(33)35)20-21(13-4-7-15(25)8-5-13)31-24(28)34-22(20)30-18(32-34)11-16-17(36-23(26)27)3-2-10-29-16/h2-10,12,23H,11H2,1H3,(H2,28,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474302 (2-(2,6-difluorobenzyl)-8-(1-methyl-1H-benzo[d] imi...) Show SMILES Cn1cnc2ccc(cc12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C23H16F2N8O/c1-32-11-28-16-6-5-12(9-17(16)32)19-20(22-27-7-8-34-22)30-23(26)33-21(19)29-18(31-33)10-13-14(24)3-2-4-15(13)25/h2-9,11H,10H2,1H3,(H2,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474263 (5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...) Show SMILES Cc1cc(cn(C)c1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19F2N7O/c1-13-10-15(12-32(2)23(13)34)20-21(14-5-7-16(25)8-6-14)30-24(27)33-22(20)29-19(31-33)11-18-17(26)4-3-9-28-18/h3-10,12H,11H2,1-2H3,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.10	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474229 (7-(4-fluorophenyl)-2-((3-fluoropyridin-2-yl) methy...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nccn3c2)c2nc(Cc3ncccc3F)nn12 Show InChI InChI=1S/C24H16F2N8/c25-16-6-3-14(4-7-16)22-21(15-5-8-20-29-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-18-17(26)2-1-9-28-18/h1-11,13H,12H2,(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474314 ((R)-7-(4-fluorophenyl)-8-(1-methyl-1H-benzo[d] imi...) Show SMILES CN1CCC[C@@H]1Cc1nc2c(-c3ccc4ncn(C)c4c3)c(nc(N)n2n1)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C25H25FN8/c1-32-11-3-4-18(32)13-21-29-24-22(16-7-10-19-20(12-16)33(2)14-28-19)23(30-25(27)34(24)31-21)15-5-8-17(26)9-6-15/h5-10,12,14,18H,3-4,11,13H2,1-2H3,(H2,27,30)/t18-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474273 (5-(5-amino-2-(2,6-difluorobenzyl)-7-(thiazol-2- yl...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1nccs1 Show InChI InChI=1S/C21H15F2N7OS/c1-29-10-11(5-6-16(29)31)17-18(20-25-7-8-32-20)27-21(24)30-19(17)26-15(28-30)9-12-13(22)3-2-4-14(12)23/h2-8,10H,9H2,1H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	5.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474285 (5-(5-amino-2-[[3-(difluoromethoxy)pyridin-2-yl] me...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3OC(F)F)nc12)-c1ncco1 Show InChI InChI=1S/C21H16F2N8O3/c1-30-10-11(4-5-15(30)32)16-17(19-26-7-8-33-19)28-21(24)31-18(16)27-14(29-31)9-12-13(34-20(22)23)3-2-6-25-12/h2-8,10,20H,9H2,1H3,(H2,24,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474231 (6-[[5-amino-7-(4-fluorophenyl)-8-[imidazo[1,2-a] p...) Show SMILES Nc1cccc(Cc2nc3c(-c4ccc5nccn5c4)c(nc(N)n3n2)-c2ccc(F)cc2)n1 Show InChI InChI=1S/C24H18FN9/c25-16-7-4-14(5-8-16)22-21(15-6-9-20-28-10-11-33(20)13-15)23-30-19(32-34(23)24(27)31-22)12-17-2-1-3-18(26)29-17/h1-11,13H,12H2,(H2,26,29)(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.30	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474305 (5-(5-amino-7-(4-fluorophenyl)-2-((3-fluoropyrid in...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(CCO)c2)c2nc(Cc3ncccc3F)nn12 Show InChI InChI=1S/C24H19F2N7O2/c25-16-6-3-14(4-7-16)22-21(15-5-8-20(35)32(13-15)10-11-34)23-29-19(31-33(23)24(27)30-22)12-18-17(26)2-1-9-28-18/h1-9,13,34H,10-12H2,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474333 (2-(2-(dimethylamino)ethyl)-7-(4-fl uorophenyl )-8-...) Show SMILES CN(C)CCc1nc2c(-c3ccc4ncc(C)n4c3)c(nc(N)n2n1)-c1ccc(F)cc1 Show InChI InChI=1S/C23H23FN8/c1-14-12-26-19-9-6-16(13-31(14)19)20-21(15-4-7-17(24)8-5-15)28-23(25)32-22(20)27-18(29-32)10-11-30(2)3/h4-9,12-13H,10-11H2,1-3H3,(H2,25,28)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474256 (8-(2-chloro-6-methylpyridin-4-yl)-7-(4- fluorophen...) Show SMILES Cc1cc(cc(Cl)n1)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C23H16ClF2N7/c1-12-9-14(10-18(24)29-12)20-21(13-4-6-15(25)7-5-13)31-23(27)33-22(20)30-19(32-33)11-17-16(26)3-2-8-28-17/h2-10H,11H2,1H3,(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474221 (8-(2,6-dimethylpyridin-4-yl)-7-(4-fluoropheny1)- 2...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C23H17F2N7O/c1-31-12-14(6-9-19(31)33)20-21(13-4-7-15(24)8-5-13)29-23(26)32-22(20)28-18(30-32)11-17-16(25)3-2-10-27-17/h2-10,12H,11H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474239 (2-(2,6-difluorobenzyl)-8-(2-(difluoromethoxy) pyri...) Show SMILES Nc1nc(-c2ncco2)c(-c2ccnc(OC(F)F)c2)c2nc(Cc3c(F)cccc3F)nn12 Show InChI InChI=1S/C21H13F4N7O2/c22-12-2-1-3-13(23)11(12)9-14-29-18-16(10-4-5-27-15(8-10)34-20(24)25)17(19-28-6-7-33-19)30-21(26)32(18)31-14/h1-8,20H,9H2,(H2,26,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474303 (5-[5-amino-2-[(2,6-difluorophenyl)methyl]-7- (pyri...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ccccn1 Show InChI InChI=1S/C23H17F2N7O/c1-31-12-13(8-9-19(31)33)20-21(17-7-2-3-10-27-17)29-23(26)32-22(20)28-18(30-32)11-14-15(24)5-4-6-16(14)25/h2-10,12H,11H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474312 (2-((3-fluoropyridin-2-yl)methyl)-8-(3-methylimi da...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)N1CCOCC1 Show InChI InChI=1S/C23H22FN9O/c1-14-12-27-19-5-4-15(13-32(14)19)20-21(31-7-9-34-10-8-31)29-23(25)33-22(20)28-18(30-33)11-17-16(24)3-2-6-26-17/h2-6,12-13H,7-11H2,1H3,(H2,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11.2	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474226 (5-(5-amino-2-(2,6-difluorobenzyl)-7-(oxazol-2- y1)...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)-c1ncco1 Show InChI InChI=1S/C21H15F2N7O2/c1-29-10-11(5-6-16(29)31)17-18(20-25-7-8-32-20)27-21(24)30-19(17)26-15(28-30)9-12-13(22)3-2-4-14(12)23/h2-8,10H,9H2,1H3,(H2,24,27)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474283 (7-(4-fluorophenyl)-8-[imidazo[1,2-a]pyridin-6-yl]-...) Show SMILES Cc1nc(Cc2nc3c(-c4ccc5nccn5c4)c(nc(N)n3n2)-c2ccc(F)cc2)cs1 Show InChI InChI=1S/C23H17FN8S/c1-13-27-17(12-33-13)10-18-28-22-20(15-4-7-19-26-8-9-31(19)11-15)21(29-23(25)32(22)30-18)14-2-5-16(24)6-3-14/h2-9,11-12H,10H2,1H3,(H2,25,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474237 (5-(5-amino-7-(3-chlorophenyl)-2-((3-fluoropyrid in...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1cccc(Cl)c1 Show InChI InChI=1S/C23H17ClFN7O/c1-31-12-14(7-8-19(31)33)20-21(13-4-2-5-15(24)10-13)29-23(26)32-22(20)28-18(30-32)11-17-16(25)6-3-9-27-17/h2-10,12H,11H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474271 (5-[5-amino-7-(4-nuorophenyl)-2-[(1,3-thiazol-2- yl...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3nccs3)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C21H16FN7OS/c1-28-11-13(4-7-17(28)30)18-19(12-2-5-14(22)6-3-12)26-21(23)29-20(18)25-15(27-29)10-16-24-8-9-31-16/h2-9,11H,10H2,1H3,(H2,23,26)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474270 (5-(5-amino-7-(3-fluorophenyl)-2-((3-fluoropyrid in...) Show SMILES Cn1cc(ccc1=O)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1cccc(F)c1 Show InChI InChI=1S/C23H17F2N7O/c1-31-12-14(7-8-19(31)33)20-21(13-4-2-5-15(24)10-13)29-23(26)32-22(20)28-18(30-32)11-17-16(25)6-3-9-27-17/h2-10,12H,11H2,1H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474278 (5-(5-amino-2-(2,6-difluorobenzyl)-7-(4-fluoroph en...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc(=O)n(c2)C2CS(=O)(=O)C2)c2nc(Cc3c(F)cccc3F)nn12 Show InChI InChI=1S/C26H19F3N6O3S/c27-16-7-4-14(5-8-16)24-23(15-6-9-22(36)34(11-15)17-12-39(37,38)13-17)25-31-21(33-35(25)26(30)32-24)10-18-19(28)2-1-3-20(18)29/h1-9,11,17H,10,12-13H2,(H2,30,32)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474336 (2-(2,6-difluorobenzyl)-8-(3-methylimidazo[l,2-a] p...) Show SMILES Cc1cnc2ccc(cn12)-c1c(nc(N)n2nc(Cc3c(F)cccc3F)nc12)N1CCCC1 Show InChI InChI=1S/C24H22F2N8/c1-14-12-28-20-8-7-15(13-33(14)20)21-22(32-9-2-3-10-32)30-24(27)34-23(21)29-19(31-34)11-16-17(25)5-4-6-18(16)26/h4-8,12-13H,2-3,9-11H2,1H3,(H2,27,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	16.5	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474289 (8-(1H-benzo[d]imidazol-6-yl)-7-(4-fluorophenyl)- 2...) Show SMILES Nc1nc(-c2ccc(F)cc2)c(-c2ccc3nc[nH]c3c2)c2nc(Cc3ncccc3F)nn12 Show InChI InChI=1S/C24H16F2N8/c25-15-6-3-13(4-7-15)22-21(14-5-8-17-19(10-14)30-12-29-17)23-31-20(33-34(23)24(27)32-22)11-18-16(26)2-1-9-28-18/h1-10,12H,11H2,(H2,27,32)(H,29,30)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474238 (5-(5-amino-2-((3-fluoropyridin-2-yl)methyl)-7- (3-...) Show SMILES COc1cccc(c1)-c1nc(N)n2nc(Cc3ncccc3F)nc2c1-c1ccc(=O)n(C)c1 Show InChI InChI=1S/C24H20FN7O2/c1-31-13-15(8-9-20(31)33)21-22(14-5-3-6-16(11-14)34-2)29-24(26)32-23(21)28-19(30-32)12-18-17(25)7-4-10-27-18/h3-11,13H,12H2,1-2H3,(H2,26,29)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Mus musculus)	BDBM474252 (8-(2,6-dimethyIpyridin-4-yl)-7-(4-fluorophenyl)- 2...) Show SMILES Cc1cc(cc(C)n1)-c1c(nc(N)n2nc(Cc3ncccc3F)nc12)-c1ccc(F)cc1 Show InChI InChI=1S/C24H19F2N7/c1-13-10-16(11-14(2)29-13)21-22(15-5-7-17(25)8-6-15)31-24(27)33-23(21)30-20(32-33)12-19-18(26)4-3-9-28-19/h3-11H,12H2,1-2H3,(H2,27,31)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA US Patent					Assay Description hADORA1/CHO (hA1 expressing) cells (Genscript) were plated at 1×104 cells/well into 384-well polystyrene plates one day before starting the experimen...				US Patent US10858365 (2020) BindingDB Entry DOI: 10.7270/Q2Q81H5Q
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 111 total )  |  Next  |  Last  >>

Jump to: