Compile Data Set for Download or QSAR

Found 62 hits Enz. Inhib. hit(s) with all data for entry = 7601   

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 A1 (Homo sapiens (Human))	BDBM633489 (3-(6-amino-1-(4-amino-2,6-difluorobenzyl)-1H-pyraz...) Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(c2)C#N)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633492 (US11806350, Compound 210) Show SMILES Nc1nc(-c2cccc(c2)C#N)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM298418 (3-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...) Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCC(O)O Show InChI InChI=1S/C43H52N6O11S/c1-43(2,3)27-23-34(40(57-5)35(24-27)49-61(6,54)55)48-42(53)47-33-13-14-36(31-10-8-7-9-30(31)33)60-29-15-17-44-38(26-29)46-28-11-12-32(37(25-28)56-4)41(52)45-18-20-59-22-21-58-19-16-39(50)51/h7-15,17,23-26,39,49-51H,16,18-22H2,1-6H3,(H,44,46)(H,45,52)(H2,47,48,53)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633490 (3-(6-amino-1-(4-amino-2,6-difluorobenzyl)-1H-pyraz...) Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633494 (3-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...) Show SMILES Nc1nc(-c2cccc(C#N)c2F)c2cnn(Cc3c(F)cccc3F)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633466 (US11806350, Compound 206) Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)ccc1N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633493 (3-(6-amino-1-(4-amino-3-(trifluoromethyl)benzyl)-1...) Show SMILES Nc1nc(-c2cccc(C#N)c2F)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM298418 (3-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...) Show SMILES COc1cc(Nc2cc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)ccn2)ccc1C(=O)NCCOCCOCCC(O)O Show InChI InChI=1S/C43H52N6O11S/c1-43(2,3)27-23-34(40(57-5)35(24-27)49-61(6,54)55)48-42(53)47-33-13-14-36(31-10-8-7-9-30(31)33)60-29-15-17-44-38(26-29)46-28-11-12-32(37(25-28)56-4)41(52)45-18-20-59-22-21-58-19-16-39(50)51/h7-15,17,23-26,39,49-51H,16,18-22H2,1-6H3,(H,44,46)(H,45,52)(H2,47,48,53)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633491 (3-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(c2)C#N)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633492 (US11806350, Compound 210) Show SMILES Nc1nc(-c2cccc(c2)C#N)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633493 (3-(6-amino-1-(4-amino-3-(trifluoromethyl)benzyl)-1...) Show SMILES Nc1nc(-c2cccc(C#N)c2F)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633494 (3-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...) Show SMILES Nc1nc(-c2cccc(C#N)c2F)c2cnn(Cc3c(F)cccc3F)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633515 (2-[6-amino-1-[[4-amino-3-(trifluoromethyl)phenyl]m...) Show SMILES Nc1nc(-c2cc(ccn2)C#N)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633490 (3-(6-amino-1-(4-amino-2,6-difluorobenzyl)-1H-pyraz...) Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633489 (3-(6-amino-1-(4-amino-2,6-difluorobenzyl)-1H-pyraz...) Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(c2)C#N)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633466 (US11806350, Compound 206) Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(C#N)c2F)ccc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM298433 (US11806350, Compound 204) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)ccc1C(=O)NCCC1CCN(C)CC1 Show InChI InChI=1S/C43H52N8O7S/c1-43(2,3)28-24-34(39(57-6)35(25-28)50-59(7,54)55)48-42(53)47-33-14-15-36(31-11-9-8-10-30(31)33)58-38-17-21-45-41(49-38)46-29-12-13-32(37(26-29)56-5)40(52)44-20-16-27-18-22-51(4)23-19-27/h8-15,17,21,24-27,50H,16,18-20,22-23H2,1-7H3,(H,44,52)(H,45,46,49)(H2,47,48,53)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633507 (6-(6-amino-1-(4-amino-3-methylbenzyl)-1H-pyrazolo[...) Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)ccc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633511 (6-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...) Show SMILES Nc1nc(-c2cccc(n2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633499 (6-[6-amino-1-[(4-amino-2-fluoro-phenyl)methyl]pyra...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633503 (6-[6-amino-1-[(4-amino-2,6-difluoro-phenyl)methyl]...) Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633495 (6-(6-amino-1-(4-aminobenzyl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633491 (3-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(c2)C#N)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM298433 (US11806350, Compound 204) Show SMILES COc1cc(Nc2nccc(Oc3ccc(NC(=O)Nc4cc(cc(NS(C)(=O)=O)c4OC)C(C)(C)C)c4ccccc34)n2)ccc1C(=O)NCCC1CCN(C)CC1 Show InChI InChI=1S/C43H52N8O7S/c1-43(2,3)28-24-34(39(57-6)35(25-28)50-59(7,54)55)48-42(53)47-33-14-15-36(31-11-9-8-10-30(31)33)58-38-17-21-45-41(49-38)46-29-12-13-32(37(26-29)56-5)40(52)44-20-16-27-18-22-51(4)23-19-27/h8-15,17,21,24-27,50H,16,18-20,22-23H2,1-7H3,(H,44,52)(H,45,46,49)(H2,47,48,53)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50176050 (8-(3,4-dimethoxystyryl)-1,3-diethyl-7-methyl-1H-pu...) Show SMILES CCn1c2nc(\C=C\c3ccc(OC)c(OC)c3)n(C)c2c(=O)n(CC)c1=O Show InChI InChI=1S/C20H24N4O4/c1-6-23-18-17(19(25)24(7-2)20(23)26)22(3)16(21-18)11-9-13-8-10-14(27-4)15(12-13)28-5/h8-12H,6-7H2,1-5H3/b11-9+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633515 (2-[6-amino-1-[[4-amino-3-(trifluoromethyl)phenyl]m...) Show SMILES Nc1nc(-c2cc(ccn2)C#N)c2cnn(Cc3ccc(N)c(c3)C(F)(F)F)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633512 (2-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...) Show SMILES Nc1nc(-c2cc(ccn2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633511 (6-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...) Show SMILES Nc1nc(-c2cccc(n2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633508 (2-(6-amino-1-(4-amino-3-methylbenzyl)-1H-pyrazolo[...) Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)ccc1N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633507 (6-(6-amino-1-(4-amino-3-methylbenzyl)-1H-pyrazolo[...) Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)ccc1N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633504 (2-[6-amino-1-[(4-amino-2,6-difluoro-phenyl)methyl]...) Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633503 (6-[6-amino-1-[(4-amino-2,6-difluoro-phenyl)methyl]...) Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633500 (2-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633499 (6-[6-amino-1-[(4-amino-2-fluoro-phenyl)methyl]pyra...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633495 (6-(6-amino-1-(4-aminobenzyl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cccc(n2)C#N)cc1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633504 (2-[6-amino-1-[(4-amino-2,6-difluoro-phenyl)methyl]...) Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633508 (2-(6-amino-1-(4-amino-3-methylbenzyl)-1H-pyrazolo[...) Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)ccc1N Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633512 (2-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...) Show SMILES Nc1nc(-c2cc(ccn2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM633500 (2-(6-amino-1-(4-amino-2-fluorobenzyl)-1H-pyrazolo[...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)c(F)c1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633496 (2-(6-amino-1-(4-aminobenzyl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cc(ccn2)C#N)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633498 (4-(6-amino-1-(4-aminobenzyl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2ccnc(c2)C#N)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633514 (4-[6-amino-1-[(2,6-difluorophenyl)methyl]pyrazolo[...) Show SMILES Nc1nc(-c2ccnc(c2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633513 (5-(6-amino-1-(2,6-difluorobenzyl)-1H-pyrazolo[3,4-...) Show SMILES Nc1nc(-c2cncc(c2)C#N)c2cnn(Cc3c(F)cccc3F)c2n1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633505 (5-[6-amino-1-[(4-amino-2,6-difluoro-phenyl)methyl]...) Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2cncc(c2)C#N)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633509 (5-(6-amino-1-(4-amino-3-methylbenzyl)-1H-pyrazolo[...) Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2cncc(c2)C#N)ccc1N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633497 (5-(6-amino-1-(4-aminobenzyl)-1H-pyrazolo[3,4-d]pyr...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cncc(c2)C#N)cc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633506 (4-(6-amino-1-(4-amino-2,6-difluorobenzyl)-1H-pyraz...) Show SMILES Nc1cc(F)c(Cn2ncc3c(nc(N)nc23)-c2ccnc(c2)C#N)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633510 (4-(6-amino-1-(4-amino-3-methylbenzyl)-1H-pyrazolo[...) Show SMILES Cc1cc(Cn2ncc3c(nc(N)nc23)-c2ccnc(c2)C#N)ccc1N Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM633501 (5-[6-amino-1-[(4-amino-2-fluoro-phenyl)methyl]pyra...) Show SMILES Nc1ccc(Cn2ncc3c(nc(N)nc23)-c2cncc(c2)C#N)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent									US Patent US9255087 (2016) BindingDB Entry DOI: 10.7270/Q20G3J06
					More data for this Ligand-Target Pair

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