Compile Data Set for Download or QSAR

Found 491 hits with Last Name = 'whitehead' and Initial = 'b'   

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 (Homo sapiens (Human))	BDBM508614 (8-(2-{(cyclopropylmethyl)[(4- methyl-1,3-thiazol-2...) Show SMILES Cc1csc(CN(CCc2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)CC2CC2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508706 (US11046714, Example 140 | US11046714, Example 141) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(nn12)C1CCCN(CCC(F)(F)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	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508593 (4-[2-(5-amino-2,2-difluoro[1,3] dioxolo[4,5-h][1,2...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCN(CC4CC4)C(=O)C3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508630 (US11046714, Example 72 | US11046714, Example 73) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCCC(F)(C3)C(F)(F)F)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508537 (8-[2-(2-cyclopropyl-6,7- dihydro[1,3]oxazolo[5,4- ...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCc4nc(oc4C3)C3CC3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508630 (US11046714, Example 72 | US11046714, Example 73) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCCC(F)(C3)C(F)(F)F)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508693 (8-[(3,5-dimethyl-1H-pyrazol-1-yl) methyl]-2,2-difl...) Show SMILES Cc1cc(C)n(Cc2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508704 (US11046714, Example 138) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(nn12)[C@@H]1CCCN(CC(F)(F)F)C1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508611 (2,2-difluoro-8-(2-{[1- (trifluoromethyl)cyclobutyl...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCNC3(CCC3)C(F)(F)F)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508689 (2,2-difluoro-8-({[1-(trifluoromethyl) cyclobutyl]a...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CNC3(CCC3)C(F)(F)F)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508553 (8-{2-[(2R)-4,4-difluoro-2- methylpyrrolidin-1-yl]e...) Show SMILES C[C@@H]1CC(F)(F)CN1CCc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508599 (4-[2-(5-amino-2,2-difluoro[1,3] dioxolo[4,5-h][1,2...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCN(C(=O)C3)c3cccc(F)c3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508651 (8-[(2R or 2S)-2-(5,7-dihydro-6H- pyrrolo[3,4-b]pyr...) Show SMILES CC(Cc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)N1Cc2cccnc2C1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508710 ((R or S)-8-[1-(3,5-difluorophenyl) piperidin-3-yl]...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(nn12)C1CCCN(C1)c1cc(F)cc(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	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508708 (US11046714, Example 142 | US11046714, Example 143) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(nn12)C1CCCN(C1)c1cccc(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	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508625 ((R or S)-8-[2-(3,3-difluoro-2- methylpiperidin-1-y...) Show SMILES C[C@H]1N(CCc2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)CCCC1(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508638 (2,2-difluoro-8-[(2R)-2-(2-methyl- 6,7-dihydro[1,3]...) Show SMILES C[C@H](Cc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)N1CCc2nc(C)oc2C1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508636 (8-[(2R)-2-(5,8-dihydro-1,7- naphthyridin-7(6H)-yl)...) Show SMILES C[C@H](Cc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)N1CCc2cccnc2C1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508675 (2,2-difluoro-8-[(3-fluoro-3- methylazetidin-1-yl)m...) Show SMILES CC1(F)CN(Cc2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)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	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508678 (2,2-difluoro-8-{[3-fluoro-3- (trifluoromethyl)azet...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CN3CC(F)(C3)C(F)(F)F)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508691 (8-({(cyclopropylmethyl)[(4-methyl-1,3- thiazol-2-y...) Show SMILES Cc1csc(CN(CC2CC2)Cc2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)n1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508552 (8-[2-(3,3-difluoropyrrolidin-1- yl)ethyl]-2,2-difl...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCC(F)(F)C3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508705 (US11046714, Example 139) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(nn12)[C@@H]1CCCN(CC(F)F)C1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508616 (8-(2-{(cyclopropylmethyl)[(2- methyl-1,3-thiazol-5...) Show SMILES Cc1ncc(CN(CCc2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)CC2CC2)s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508642 (2,2-difluoro-8-[(2R)-2-(2-methyl- 6,7-dihydro[1,3]...) Show SMILES C[C@H](Cc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)N1CCc2sc(C)nc2C1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508587 (2,2-difluoro-8-{2-[(2R)-2- methyl-4-(2-methyl-1,3-...) Show SMILES C[C@@H]1CN(CCN1CCc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)c1cnc(C)s1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508547 (2,2-difluoro-8-{2-[(2R,4S)-4- fluoro-2-methylpyrro...) Show SMILES C[C@@H]1C[C@H](F)CN1CCc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508535 (2,2-difluoro-8-[2-(2-methyl-6,7- dihydro[1,3]oxazo...) Show SMILES Cc1nc2CCN(CCc3nc4c5ccc6OC(F)(F)Oc6c5nc(N)n4n3)Cc2o1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508542 (8-[2-(3-cyclopropyl-3- fluoroazetidin-1-yl)ethyl]-...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CC(F)(C3)C3CC3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508557 (8-[2-(3,3-difluoropiperidin-1- yl)ethyl]-2,2-diflu...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCCC(F)(F)C3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508551 (8-{2-[(3S,4S)-3,4- difluoropyrrolidin-1-yl]ethyl}-...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3C[C@H](F)[C@@H](F)C3)nn12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508532 (8-[2-(3-ethyl-5,6- dihydro[1,2,4]triazolo[4,3- a]p...) Show SMILES CCc1nnc2CN(CCc3nc4c5ccc6OC(F)(F)Oc6c5nc(N)n4n3)CCn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508688 (2,2-difluoro-8-({[4-(trifluoromethyl) benzyl]amino...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CNCc3ccc(cc3)C(F)(F)F)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508596 (4-[2-(5-amino-2,2-difluoro[1,3] dioxolo[4,5-h][1,2...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3CCN(C4CCCC4)C(=O)C3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508592 (4-[2-(5-amino-2,2-difluoro[1,3] dioxolo[4,5-h][1,2...) Show SMILES CN1CCN(CCc2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)CC1=O Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508683 (8-[(4,4-difluoropiperidin-1-yl)methyl]- 2,2-difluo...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CN3CCC(F)(F)CC3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508590 (8-{2-[(2R)-4-(4-chloro-1,2,5- thiadiazol-3-yl)-2- ...) Show SMILES C[C@@H]1CN(CCN1CCc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)c1nsnc1Cl |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508536 (2,2-difluoro-8-[2-(2-methyl-6,7- dihydro[1,3]thiaz...) Show SMILES Cc1nc2CN(CCc3nc4c5ccc6OC(F)(F)Oc6c5nc(N)n4n3)CCc2s1 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508680 (8-[(3,3-difluoropyrrolidin-1-yl)methyl]- 2,2-diflu...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CN3CCC(F)(F)C3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508627 (US11046714, Example 69) Show SMILES C[C@@H]1N(CCc2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)CCCC1(F)F |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508634 (8-[(2R)-2-(2,3-dihydro-1H-pyrrolo [2,3-c]pyridin-1...) Show SMILES C[C@H](Cc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)N1CCc2ccncc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508703 (US11046714, Example 137) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CN3Cc4cccnc4C3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508676 (8-[(3-ethyl-3-fluoroazetidin-1- yl)methyl]-2,2-dif...) Show SMILES CCC1(F)CN(Cc2nc3c4ccc5OC(F)(F)Oc5c4nc(N)n3n2)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	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508714 (US11046714, Example 148) Show SMILES COC(=O)C(Cc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)C(=O)OC Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508669 (2,2-difluoro-8-{[(2R)-4-(4- fluorophenyl)-2-methyl...) Show SMILES C[C@@H]1CN(CCN1Cc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1)c1ccc(F)cc1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508533 (8-[2-(1,3-dihydro-2H- pyrrolo[3,4-c]pyridin-2- yl)...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3Cc4ccncc4C3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508528 (2,2-difluoro-8-[2-(5-fluoro-1,3- dihydro-2H-isoind...) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CCN3Cc4ccc(F)cc4C3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508559 (8-{2-[(2R)-4,4-difluoro-2- methylpiperidin-1-yl]et...) Show SMILES C[C@@H]1CC(F)(F)CCN1CCc1nc2c3ccc4OC(F)(F)Oc4c3nc(N)n2n1 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508659 (US11046714, Example 97 | US11046714, Example 98) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CC(C(F)F)N3Cc4cccnc4C3)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM508716 (US11046714, Example 150) Show SMILES Nc1nc2c3OC(F)(F)Oc3ccc2c2nc(CC(CCl)CCl)nn12 Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description The following table shows representative data for the compounds of the Examples as A2a receptor antagonists as determined by a competition binding as...				Citation and Details BindingDB Entry DOI: 10.7270/Q28S4T2C
					More data for this Ligand-Target Pair

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