Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'irwin' and Initial = 'jj'   

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))	BDBM50520046 (CHEMBL1340426) Show SMILES Nc1nc(nn1C(=O)c1ccco1)-c1ccccc1 Show InChI InChI=1S/C13H10N4O2/c14-13-15-11(9-5-2-1-3-6-9)16-17(13)12(18)10-7-4-8-19-10/h1-8H,(H2,14,15,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A1A receptor expressed in human CHO cell membranes incubated for 60 mins by scintillation counting met...				J Med Chem 63: 613-620 (2020) Article DOI: 10.1021/acs.jmedchem.9b01560 BindingDB Entry DOI: 10.7270/Q2WQ076H
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322737 (2-(2-chloro-5-(trifluoromethyl)phenylamino)-2-oxo-...) Show SMILES FC(F)(F)c1ccc(Cl)c(NC(=O)C(OC(=O)CNC(=O)c2ccccc2)c2ccccc2)c1 Show InChI InChI=1S/C24H18ClF3N2O4/c25-18-12-11-17(24(26,27)28)13-19(18)30-23(33)21(15-7-3-1-4-8-15)34-20(31)14-29-22(32)16-9-5-2-6-10-16/h1-13,21H,14H2,(H,29,32)(H,30,33)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay				J Med Chem 53: 4891-905 (2010) Article DOI: 10.1021/jm100488w BindingDB Entry DOI: 10.7270/Q2BG2P68
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86564 (Azanium analog, 56) Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H17Cl2NO2/c1-15(2,9-19)18-8-13-3-4-14(20-13)10-5-11(16)7-12(17)6-10/h3-7,18-19H,8-9H2,1-2H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	80	-40.1	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86568 (Azanium analog, 60) Show SMILES C[C@H](O)C[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-11-3-5-14(19-11)12-6-10(15)2-4-13(12)16/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86570 (Azanium analog, 62) Show SMILES CC(C)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C14H15Cl2NO/c1-9(2)17-8-11-4-6-14(18-11)12-7-10(15)3-5-13(12)16/h3-7,9,17H,8H2,1-2H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86569 (Azanium analog, 61) Show SMILES CC[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H13Cl2NO/c1-2-16-8-10-4-6-13(17-10)11-7-9(14)3-5-12(11)15/h3-7,16H,2,8H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	100	-39.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50520046 (CHEMBL1340426) Show SMILES Nc1nc(nn1C(=O)c1ccco1)-c1ccccc1 Show InChI InChI=1S/C13H10N4O2/c14-13-15-11(9-5-2-1-3-6-9)16-17(13)12(18)10-7-4-8-19-10/h1-8H,(H2,14,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]ZM241385 from adenosine A2A receptor in human HeLa cell membranes incubated for 30 mins by scintillation counting method				J Med Chem 63: 613-620 (2020) Article DOI: 10.1021/acs.jmedchem.9b01560 BindingDB Entry DOI: 10.7270/Q2WQ076H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86569 (Azanium analog, 61) Show SMILES CC[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H13Cl2NO/c1-2-16-8-10-4-6-13(17-10)11-7-9(14)3-5-12(11)15/h3-7,16H,2,8H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50318241 ((4,6-dimethylpyrimidin-2-ylamino)(2-(5-fluoro-1H-i...) Show SMILES Cc1cc(C)nc(NC(N)=NCCc2c[nH]c3ccc(F)cc23)n1 |w:10.10| Show InChI InChI=1S/C17H19FN6/c1-10-7-11(2)23-17(22-10)24-16(19)20-6-5-12-9-21-15-4-3-13(18)8-14(12)15/h3-4,7-9,21H,5-6H2,1-2H3,(H3,19,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50318244 ((R)-N-(3-phenyl-1H-1,2,4-triazol-5-yl)-2-(m-tolylo...) Show SMILES C[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc([nH]1)-c1ccccc1 |r| Show InChI InChI=1S/C18H18N4O2/c1-12-7-6-10-15(11-12)24-13(2)17(23)20-18-19-16(21-22-18)14-8-4-3-5-9-14/h3-11,13H,1-2H3,(H2,19,20,21,22,23)/t13-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86562 (Azanium analog, 54) Show SMILES COCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C14H15Cl2NO2/c1-18-5-4-17-9-13-2-3-14(19-13)10-6-11(15)8-12(16)7-10/h2-3,6-8,17H,4-5,9H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86552 (Piperidin-1-ium analog, 4) Show SMILES O[C@@H](C[NH+]1CCN(CC1)c1nsc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C17H19N3OS2/c21-14(16-6-3-11-22-16)12-19-7-9-20(10-8-19)17-13-4-1-2-5-15(13)23-18-17/h1-6,11,14,21H,7-10,12H2/p+1/t14-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86563 (Azanium analog, 55) Show SMILES C[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86563 (Azanium analog, 55) Show SMILES C[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C12H11Cl2NO/c1-15-7-11-2-3-12(16-11)8-4-9(13)6-10(14)5-8/h2-6,15H,7H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86562 (Azanium analog, 54) Show SMILES COCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C14H15Cl2NO2/c1-18-5-4-17-9-13-2-3-14(19-13)10-6-11(15)8-12(16)7-10/h2-3,6-8,17H,4-5,9H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86561 (Azanium analog, 53) Show SMILES OCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C13H13Cl2NO2/c14-10-5-9(6-11(15)7-10)13-2-1-12(18-13)8-16-3-4-17/h1-2,5-7,16-17H,3-4,8H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	200	-37.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86556 (Azanium analog, 28) Show SMILES C([NH2+]Cc1cccc2cccnc12)[C@@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C19H18N2O2/c1-2-9-18-17(8-1)22-13-16(23-18)12-20-11-15-6-3-5-14-7-4-10-21-19(14)15/h1-10,16,20H,11-13H2/p+1/t16-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86567 (Azanium analog, 59) Show SMILES CCC(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C15H17Cl2NO2/c1-2-11(9-19)18-8-12-4-6-15(20-12)13-7-10(16)3-5-14(13)17/h3-7,11,18-19H,2,8-9H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86564 (Azanium analog, 56) Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C15H17Cl2NO2/c1-15(2,9-19)18-8-13-3-4-14(20-13)10-5-11(16)7-12(17)6-10/h3-7,18-19H,8-9H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86558 (Piperidin-1-ium analog, 30) Show SMILES CCCNC(=O)C1CCC[NH+](CCOc2ccc(Cl)cc2)C1 Show InChI InChI=1S/C17H25ClN2O2/c1-2-9-19-17(21)14-4-3-10-20(13-14)11-12-22-16-7-5-15(18)6-8-16/h5-8,14H,2-4,9-13H2,1H3,(H,19,21)/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86566 (Azanium analog, 58) Show SMILES OCC[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H13Cl2NO2/c14-9-1-3-12(15)11(7-9)13-4-2-10(18-13)8-16-5-6-17/h1-4,7,16-17H,5-6,8H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86565 (Azanium analog, 57) Show SMILES C[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C12H11Cl2NO/c1-15-7-9-3-5-12(16-9)10-6-8(13)2-4-11(10)14/h2-6,15H,7H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	300	-36.9	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86552 (Piperidin-1-ium analog, 4) Show SMILES O[C@@H](C[NH+]1CCN(CC1)c1nsc2ccccc12)c1cccs1 |r| Show InChI InChI=1S/C17H19N3OS2/c21-14(16-6-3-11-22-16)12-19-7-9-20(10-8-19)17-13-4-1-2-5-15(13)23-18-17/h1-6,11,14,21H,7-10,12H2/p+1/t14-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	400	-36.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86553 (Piperidin-1-ium analog, 5) Show SMILES OCCN1CC[NH+](CCOc2ccccc2-c2ccccc2)CC1 Show InChI InChI=1S/C20H26N2O2/c23-16-14-21-10-12-22(13-11-21)15-17-24-20-9-5-4-8-19(20)18-6-2-1-3-7-18/h1-9,23H,10-17H2/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	400	-36.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50318243 ((4,6-dimethylpyrimidin-2-ylamino)(2-(thiophen-3-yl...) Show SMILES Cc1cc(C)nc(NC(N)=NCCc2ccsc2)n1 |w:10.10| Show InChI InChI=1S/C13H17N5S/c1-9-7-10(2)17-13(16-9)18-12(14)15-5-3-11-4-6-19-8-11/h4,6-8H,3,5H2,1-2H3,(H3,14,15,16,17,18)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM57851 (1-(4,6-dimethyl-2-pyrimidinyl)-2-[2-(1H-indol-3-yl...) Show SMILES Cc1cc(C)nc(NC(N)=NCCc2c[nH]c3ccccc23)n1 |w:10.10| Show InChI InChI=1S/C17H20N6/c1-11-9-12(2)22-17(21-11)23-16(18)19-8-7-13-10-20-15-6-4-3-5-14(13)15/h3-6,9-10,20H,7-8H2,1-2H3,(H3,18,19,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50520047 (CHEMBL1465169) Show SMILES Cc1ccc(cc1)C(=O)C1CCN(CC(=O)NC2CCCC2)CC1 Show InChI InChI=1S/C20H28N2O2/c1-15-6-8-16(9-7-15)20(24)17-10-12-22(13-11-17)14-19(23)21-18-4-2-3-5-18/h6-9,17-18H,2-5,10-14H2,1H3,(H,21,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D4 receptor expressed in cell membranes incubated for 60 mins by scintillation counting method				J Med Chem 63: 613-620 (2020) Article DOI: 10.1021/acs.jmedchem.9b01560 BindingDB Entry DOI: 10.7270/Q2WQ076H
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86595 (ZINC 4842613, 71) Show SMILES C[C@H](O)C[NH2+]Cc1ccc(o1)-c1cccc(Cl)c1 Show InChI InChI=1S/C14H16ClNO2/c1-10(17)8-16-9-13-5-6-14(18-13)11-3-2-4-12(15)7-11/h2-7,10,16-17H,8-9H2,1H3/p+1/t10-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	488	-35.7	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86571 (Azanium analog, 63) Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H18F3NO2/c1-15(2,10-21)20-9-13-6-7-14(22-13)11-4-3-5-12(8-11)16(17,18)19/h3-8,20-21H,9-10H2,1-2H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	500	-35.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86561 (Azanium analog, 53) Show SMILES OCC[NH2+]Cc1ccc(o1)-c1cc(Cl)cc(Cl)c1 Show InChI InChI=1S/C13H13Cl2NO2/c14-10-5-9(6-11(15)7-10)13-2-1-12(18-13)8-16-3-4-17/h1-2,5-7,16-17H,3-4,8H2/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	500	-35.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86555 (Piperazin-1-ium analog, 7) Show SMILES Cc1cccc(c1)N1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 |r| Show InChI InChI=1S/C19H23FN2O/c1-15-5-4-6-16(13-15)22-11-9-21(10-12-22)14-19(23)17-7-2-3-8-18(17)20/h2-8,13,19,23H,9-12,14H2,1H3/p+1/t19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	500	-35.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(4) dopamine receptor (Homo sapiens (Human))	BDBM50520044 (CHEMBL1406529) Show SMILES Cc1cccc2cc(CNCc3ccccc3)c(Cl)nc12 Show InChI InChI=1S/C18H17ClN2/c1-13-6-5-9-15-10-16(18(19)21-17(13)15)12-20-11-14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	550	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D4 receptor expressed in cell membranes incubated for 60 mins by scintillation counting method				J Med Chem 63: 613-620 (2020) Article DOI: 10.1021/acs.jmedchem.9b01560 BindingDB Entry DOI: 10.7270/Q2WQ076H
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50318251 ((4,6-dimethylpyrimidin-2-ylamino)(2-(6-methoxy-1H-...) Show SMILES COc1ccc2c(CCN=C(N)Nc3nc(C)cc(C)n3)c[nH]c2c1 |w:9.8| Show InChI InChI=1S/C18H22N6O/c1-11-8-12(2)23-18(22-11)24-17(19)20-7-6-13-10-21-16-9-14(25-3)4-5-15(13)16/h4-5,8-10,21H,6-7H2,1-3H3,(H3,19,20,22,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86568 (Azanium analog, 60) Show SMILES C[C@H](O)C[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl |r| Show InChI InChI=1S/C14H15Cl2NO2/c1-9(18)7-17-8-11-3-5-14(19-11)12-6-10(15)2-4-13(12)16/h2-6,9,17-18H,7-8H2,1H3/p+1/t9-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	600	-35.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86570 (Azanium analog, 62) Show SMILES CC(C)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C14H15Cl2NO/c1-9(2)17-8-11-4-6-14(18-11)12-7-10(15)3-5-13(12)16/h3-7,9,17H,8H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	600	-35.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86566 (Azanium analog, 58) Show SMILES OCC[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C13H13Cl2NO2/c14-9-1-3-12(15)11(7-9)13-4-2-10(18-13)8-16-5-6-17/h1-4,7,16-17H,5-6,8H2/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	800	-34.4	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50322741 (2-(3-chloro-4-methoxyphenylamino)-2-oxoethyl 2-(1,...) Show SMILES COc1ccc(NC(=O)COC(=O)C(CC(C)C)N2C(=O)C3CC=CCC3C2=O)cc1Cl |c:23| Show InChI InChI=1S/C23H27ClN2O6/c1-13(2)10-18(26-21(28)15-6-4-5-7-16(15)22(26)29)23(30)32-12-20(27)25-14-8-9-19(31-3)17(24)11-14/h4-5,8-9,11,13,15-16,18H,6-7,10,12H2,1-3H3,(H,25,27)	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California San Francisco Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain assessed as Z-Phe-Arg-aminomethylcoumarin cleavage by competetive binding assay				J Med Chem 53: 4891-905 (2010) Article DOI: 10.1021/jm100488w BindingDB Entry DOI: 10.7270/Q2BG2P68
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86596 (ZINC 7538899, 72) Show SMILES CC[C@@H](CO)[NH2+]Cc1ccc(o1)-c1cccc(Cl)c1C Show InChI InChI=1S/C16H20ClNO2/c1-3-12(10-19)18-9-13-7-8-16(20-13)14-5-4-6-15(17)11(14)2/h4-8,12,18-19H,3,9-10H2,1-2H3/p+1/t12-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	817	-34.4	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50153337 ((4,6-dimethylpyrimidin-2-ylamino)(4-methoxypheneth...) Show SMILES COc1ccc(CCNC(N)=Nc2nc(C)cc(C)n2)cc1 |w:11.11| Show InChI InChI=1S/C16H21N5O/c1-11-10-12(2)20-16(19-11)21-15(17)18-9-8-13-4-6-14(22-3)7-5-13/h4-7,10H,8-9H2,1-3H3,(H3,17,18,19,20,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86556 (Azanium analog, 28) Show SMILES C([NH2+]Cc1cccc2cccnc12)[C@@H]1COc2ccccc2O1 |r| Show InChI InChI=1S/C19H18N2O2/c1-2-9-18-17(8-1)22-13-16(23-18)12-20-11-15-6-3-5-14-7-4-10-21-19(14)15/h1-10,16,20H,11-13H2/p+1/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	900	-34.2	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86567 (Azanium analog, 59) Show SMILES CCC(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C15H17Cl2NO2/c1-2-11(9-19)18-8-12-4-6-15(20-12)13-7-10(16)3-5-14(13)17/h3-7,11,18-19H,2,8-9H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	-33.5	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50318245 (1,3-dimethyl-8-(m-tolylamino)-1H-purine-2,6(3H,7H)...) Show SMILES Cc1cccc(Nc2nc3n(C)c(=O)n(C)c(=O)c3[nH]2)c1 Show InChI InChI=1S/C14H15N5O2/c1-8-5-4-6-9(7-8)15-13-16-10-11(17-13)18(2)14(21)19(3)12(10)20/h4-7H,1-3H3,(H2,15,16,17)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86550 (Piperidin-1-ium analog, 2) Show SMILES COC(=O)c1occc1C[NH+]1CCC(CC1)c1c[nH]c2ccccc12 |(-5.38,2.59,;-5.14,1.07,;-3.7,.52,;-3.46,-1,;-2.5,1.49,;-2.58,3.02,;-1.15,3.58,;-.18,2.38,;-1.02,1.09,;-.46,-.35,;1.06,-.59,;1.83,-1.93,;3.37,-1.93,;4.14,-.59,;3.37,.74,;1.83,.74,;5.68,-.59,;6.65,.61,;8.08,.05,;8,-1.48,;9.09,-2.57,;8.69,-4.06,;7.21,-4.46,;6.12,-3.37,;6.52,-1.88,)| Show InChI InChI=1S/C20H22N2O3/c1-24-20(23)19-15(8-11-25-19)13-22-9-6-14(7-10-22)17-12-21-18-5-3-2-4-16(17)18/h2-5,8,11-12,14,21H,6-7,9-10,13H2,1H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.30E+3	-33.3	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50318246 (CHEMBL1097073 | N-(4,6-dimethylpyrimidin-2-yl)-6-m...) Show SMILES Cc1ccc2nc(Nc3nc(C)cc(C)n3)[nH]c2c1 Show InChI InChI=1S/C14H15N5/c1-8-4-5-11-12(6-8)18-14(17-11)19-13-15-9(2)7-10(3)16-13/h4-7H,1-3H3,(H2,15,16,17,18,19)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor expressed in HEK293 cells after 60 mins by scintillation counting				J Med Chem 53: 3748-55 (2010) Article DOI: 10.1021/jm100240h BindingDB Entry DOI: 10.7270/Q2G16100
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86554 (Azanium analog, 6) Show SMILES Fc1ccc(cc1)-c1ccc(C[NH2+]Cc2cccnc2-n2cccn2)o1 Show InChI InChI=1S/C20H17FN4O/c21-17-6-4-15(5-7-17)19-9-8-18(26-19)14-22-13-16-3-1-10-23-20(16)25-12-2-11-24-25/h1-12,22H,13-14H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.30E+3	-33.3	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86559 (Azanium analog, 31) Show SMILES C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H]1c1cccs1 |r| Show InChI InChI=1S/C15H25N3OS/c1-15(2,17(3)4)11-16-14(19)18-9-5-7-12(18)13-8-6-10-20-13/h6,8,10,12H,5,7,9,11H2,1-4H3,(H,16,19)/p+1/t12-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.60E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86551 (Azanium analog, 3) Show SMILES CC(CO)(CO)[NH2+]Cc1ccc(o1)-c1cc(Cl)ccc1Cl Show InChI InChI=1S/C15H17Cl2NO3/c1-15(8-19,9-20)18-7-11-3-5-14(21-11)12-6-10(16)2-4-13(12)17/h2-6,18-20H,7-9H2,1H3/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.60E+3	-32.7	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50520044 (CHEMBL1406529) Show SMILES Cc1cccc2cc(CNCc3ccccc3)c(Cl)nc12 Show InChI InChI=1S/C18H17ClN2/c1-13-6-5-9-15-10-16(18(19)21-17(13)15)12-20-11-14-7-3-2-4-8-14/h2-10,20H,11-12H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.60E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Uppsala University Curated by ChEMBL					Assay Description Displacement of [3H]spiperone from human dopamine D3 receptor expressed in cell membranes incubated for 60 mins by scintillation counting method				J Med Chem 63: 613-620 (2020) Article DOI: 10.1021/acs.jmedchem.9b01560 BindingDB Entry DOI: 10.7270/Q2WQ076H
					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM86571 (Azanium analog, 63) Show SMILES CC(C)(CO)[NH2+]Cc1ccc(o1)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C16H18F3NO2/c1-15(2,10-21)20-9-13-6-7-14(22-13)11-4-3-5-12(8-11)16(17,18)19/h3-8,20-21H,9-10H2,1-2H3/p+1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.70E+3	-32.6	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM86553 (Piperidin-1-ium analog, 5) Show SMILES OCCN1CC[NH+](CCOc2ccccc2-c2ccccc2)CC1 Show InChI InChI=1S/C20H26N2O2/c23-16-14-21-10-12-22(13-11-21)15-17-24-20-9-5-4-8-19(20)18-6-2-1-3-7-18/h1-9,23H,10-17H2/p+1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	1.80E+3	-32.5	n/a	n/a	n/a	n/a	n/a	7.4	22
University of California San Francisco					Assay Description Affinities for D3-dopaminergic, D2-dopaminergic and beta2-adrenergic receptors were determined by radioligand competition binding at the National Ins...				Nat Chem Biol 7: 769-78 (2011) Article DOI: 10.1038/nchembio.662 BindingDB Entry DOI: 10.7270/Q2TM78P6
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 154 total )  |  Next  |  Last  >>

Jump to: