Compile Data Set for Download or QSAR

Found 117 hits with Last Name = 'alexander' and Initial = 'v'   

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 A3 (Homo sapiens (Human))	BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) Show SMILES CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C18H18ClIN6O3S/c1-21-16(29)13-11(27)12(28)17(30-13)26-7-23-10-14(24-18(19)25-15(10)26)22-6-8-3-2-4-9(20)5-8/h2-5,7,11-13,17,27-28H,6H2,1H3,(H,21,29)(H,22,24,25)/t11-,12+,13-,17+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50293031 (2-chloro-N6-(3-iodobenzyl)-5'-N-methylcarbamoylade...) Show SMILES CNC(=O)OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C19H20ClIN6O5/c1-22-19(30)31-7-11-13(28)14(29)17(32-11)27-8-24-12-15(25-18(20)26-16(12)27)23-6-9-3-2-4-10(21)5-9/h2-5,8,11,13-14,17,28-29H,6-7H2,1H3,(H,22,30)(H,23,25,26)/t11-,13-,14-,17-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Binding affinity to human adenosine A3 receptor				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50214981 ((2R,3R,4S)-2-(2-chloro-6-(3-chlorobenzylamino)-9H-...) Show SMILES O[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(Cl)c3)nc(Cl)nc12 |r| Show InChI InChI=1S/C16H15Cl2N5O2S/c17-9-3-1-2-8(4-9)5-19-13-11-14(22-16(18)21-13)23(7-20-11)15-12(25)10(24)6-26-15/h1-4,7,10,12,15,24-25H,5-6H2,(H,19,21,22)/t10-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.66	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells at 10 uM				ACS Med Chem Lett 9: 516-520 (2010) Article DOI: 10.1021/ml1001823 BindingDB Entry DOI: 10.7270/Q24T6KCC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50580163 (CHEMBL5075606) Show SMILES CNc1ncnc2n(cnc12)[C@@H]1SC[C@@H](N)[C@H]1O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cell membrane incubated for 60 mins by gamma counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00239 BindingDB Entry DOI: 10.7270/Q2PC367C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50339076 ((2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl...) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O2S/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/t9-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor in HEK293 cells				ACS Med Chem Lett 9: 516-520 (2010) Article DOI: 10.1021/ml1001823 BindingDB Entry DOI: 10.7270/Q24T6KCC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50339076 ((2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl...) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O2S/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/t9-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50339076 ((2R,3R,4S)-2-(6-amino-2-(hex-1-ynyl)-9H-purin-9-yl...) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O2S/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells at 10 uM				ACS Med Chem Lett 9: 516-520 (2010) Article DOI: 10.1021/ml1001823 BindingDB Entry DOI: 10.7270/Q24T6KCC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50339077 ((2R,3R,4S)-2-(6-amino-2-((E)-hex-1-enyl)-9H-purin-...) Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H21N5O2S/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h5-6,8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/b6-5+/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells at 10 uM				ACS Med Chem Lett 9: 516-520 (2010) Article DOI: 10.1021/ml1001823 BindingDB Entry DOI: 10.7270/Q24T6KCC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50339078 ((2R,3R,4S)-2-(6-amino-8-(hex-1-ynyl)-9H-purin-9-yl...) Show SMILES CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1SC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H19N5O2S/c1-2-3-4-5-6-10-19-11-13(16)17-8-18-14(11)20(10)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,17,18)/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells at 10 uM				ACS Med Chem Lett 9: 516-520 (2010) Article DOI: 10.1021/ml1001823 BindingDB Entry DOI: 10.7270/Q24T6KCC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363172 (CHEMBL1946295) Show SMILES CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24ClN5O2S/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363173 (CHEMBL1946296) Show SMILES CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24BrN5O2S/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	24	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363169 (CHEMBL1946299) Show SMILES CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H19N5O3/c1-2-3-4-5-6-10-19-11-13(16)17-8-18-14(11)20(10)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,17,18)/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31.7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363174 (CHEMBL1946297) Show SMILES CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24IN5O2S/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50363168 (CHEMBL1945563) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O3/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/t9-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	63.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363178 (CHEMBL1946291) Show SMILES CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24BrN5O3/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	67	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50339077 ((2R,3R,4S)-2-(6-amino-2-((E)-hex-1-enyl)-9H-purin-...) Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H21N5O2S/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h5-6,8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/b6-5+/t9-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor in HEK293 cells				ACS Med Chem Lett 9: 516-520 (2010) Article DOI: 10.1021/ml1001823 BindingDB Entry DOI: 10.7270/Q24T6KCC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50339077 ((2R,3R,4S)-2-(6-amino-2-((E)-hex-1-enyl)-9H-purin-...) Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H21N5O2S/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h5-6,8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/b6-5+/t9-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363170 (CHEMBL1946301) Show SMILES CCCC\C=C\c1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O3/c1-2-3-4-5-6-10-19-11-13(16)17-8-18-14(11)20(10)15-12(22)9(21)7-23-15/h5-6,8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,17,18)/b6-5+/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	94.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363168 (CHEMBL1945563) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O3/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	138	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363177 (CHEMBL1946290) Show SMILES CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24ClN5O3/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363180 (CHEMBL1946294) Show SMILES CCCCC#Cc1nc(NCc2cccc(F)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24FN5O2S/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50363175 (CHEMBL1946298) Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H21N5O3/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h5-6,8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/b6-5+/t9-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363175 (CHEMBL1946298) Show SMILES CCCC\C=C\c1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H21N5O3/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h5-6,8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/b6-5+/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	218	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363179 (CHEMBL1946292) Show SMILES CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24IN5O3/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50339079 ((2R,3R,4S)-2-(6-amino-8-((E)-hex-1-enyl)-9H-purin-...) Show SMILES CCCC\C=C\c1nc2c(N)ncnc2n1[C@@H]1SC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O2S/c1-2-3-4-5-6-10-19-11-13(16)17-8-18-14(11)20(10)15-12(22)9(21)7-23-15/h5-6,8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,17,18)/b6-5+/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	259	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells at 10 uM				ACS Med Chem Lett 9: 516-520 (2010) Article DOI: 10.1021/ml1001823 BindingDB Entry DOI: 10.7270/Q24T6KCC
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50580162 (CHEMBL5086261) Show SMILES N[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	260	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cell membrane incubated for 60 mins by gamma counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00239 BindingDB Entry DOI: 10.7270/Q2PC367C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50363169 (CHEMBL1946299) Show SMILES CCCCC#Cc1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H19N5O3/c1-2-3-4-5-6-10-19-11-13(16)17-8-18-14(11)20(10)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,17,18)/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	290	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50580161 (CHEMBL5081923) Show SMILES N[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125I]AB-MECA from human A3 adenosine receptor expressed in CHO cell membrane incubated for 60 mins by gamma counter method				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00239 BindingDB Entry DOI: 10.7270/Q2PC367C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50363170 (CHEMBL1946301) Show SMILES CCCC\C=C\c1nc2c(N)ncnc2n1[C@@H]1OC[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C15H21N5O3/c1-2-3-4-5-6-10-19-11-13(16)17-8-18-14(11)20(10)15-12(22)9(21)7-23-15/h5-6,8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,17,18)/b6-5+/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50363176 (CHEMBL1945564) Show SMILES CCCCC#Cc1nc(NCc2cccc(F)c2)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24FN5O3/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	570	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50363168 (CHEMBL1945563) Show SMILES CCCCC#Cc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H19N5O3/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-4,7H2,1H3,(H2,16,18,19)/t9-,12-,15-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]R-PIA from human recombinant adenosine A1 receptor expressed in CHO cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50580163 (CHEMBL5075606) Show SMILES CNc1ncnc2n(cnc12)[C@@H]1SC[C@@H](N)[C@H]1O |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]R-PIA from recombinant human A1 adenosine receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation c...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00239 BindingDB Entry DOI: 10.7270/Q2PC367C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50363171 (CHEMBL1946293) Show SMILES CCCCCCc1nc(N)c2ncn([C@@H]3OC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C15H23N5O3/c1-2-3-4-5-6-10-18-13(16)11-14(19-10)20(8-17-11)15-12(22)9(21)7-23-15/h8-9,12,15,21-22H,2-7H2,1H3,(H2,16,18,19)/t9-,12-,15-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.16E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50580161 (CHEMBL5081923) Show SMILES N[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]R-PIA from recombinant human A1 adenosine receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation c...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00239 BindingDB Entry DOI: 10.7270/Q2PC367C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50580162 (CHEMBL5086261) Show SMILES N[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CGS21680 from recombinant human A2A adenosine receptor expressed in HEK293 cells incubated for 60 mins by liquid scintillation co...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00239 BindingDB Entry DOI: 10.7270/Q2PC367C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50580161 (CHEMBL5081923) Show SMILES N[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12 |r| Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CGS21680 from recombinant human A2A adenosine receptor expressed in HEK293 cells incubated for 60 mins by liquid scintillation co...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00239 BindingDB Entry DOI: 10.7270/Q2PC367C
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50580162 (CHEMBL5086261) Show SMILES N[C@@H]1CS[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 |r| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.45E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]R-PIA from recombinant human A1 adenosine receptor expressed in CHO cell membrane incubated for 60 mins by liquid scintillation c...				Citation and Details Article DOI: 10.1021/acs.jmedchem.1c00239 BindingDB Entry DOI: 10.7270/Q2PC367C
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50363172 (CHEMBL1946295) Show SMILES CCCCC#Cc1nc(NCc2cccc(Cl)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24ClN5O2S/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.73E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50363173 (CHEMBL1946296) Show SMILES CCCCC#Cc1nc(NCc2cccc(Br)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24BrN5O2S/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.91E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50363174 (CHEMBL1946297) Show SMILES CCCCC#Cc1nc(NCc2cccc(I)c2)c2ncn([C@@H]3SC[C@@H](O)[C@H]3O)c2n1 |r| Show InChI InChI=1S/C22H24IN5O2S/c1-2-3-4-5-9-17-26-20(24-11-14-7-6-8-15(23)10-14)18-21(27-17)28(13-25-18)22-19(30)16(29)12-31-22/h6-8,10,13,16,19,22,29-30H,2-4,11-12H2,1H3,(H,24,26,27)/t16-,19-,22-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.89E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Ewha Womans University Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells after 60 mins by gamma counting				J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235787 (US9359399, 1) Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCCN(CC1)C(N)=N |r| Show InChI InChI=1S/C37H57N9O4/c1-26(2)23-31(34(48)42-30(17-10-11-18-41-3)36(50)45-19-12-20-46(22-21-45)37(39)40)44-35(49)32(25-28-15-8-5-9-16-28)43-33(47)29(38)24-27-13-6-4-7-14-27/h4-9,13-16,26,29-32,41H,10-12,17-25,38H2,1-3H3,(H3,39,40)(H,42,48)(H,43,47)(H,44,49)/t29-,30-,31-,32-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0430	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235785 (CVD-0019439 | US9359399, 2) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(N)(CC1)C(O)=O |r| Show InChI InChI=1S/C36H53N7O6/c1-24(2)21-29(32(45)40-28(15-9-10-18-37)34(47)43-19-16-36(39,17-20-43)35(48)49)42-33(46)30(23-26-13-7-4-8-14-26)41-31(44)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,37-39H2,1-2H3,(H,40,45)(H,41,44)(H,42,46)(H,48,49)/t27-,28-,29-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0480	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235793 (US9359399, 3) Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC(N)(CC1)C(O)=O |r| Show InChI InChI=1S/C37H55N7O6/c1-25(2)22-30(33(46)41-29(16-10-11-19-40-3)35(48)44-20-17-37(39,18-21-44)36(49)50)43-34(47)31(24-27-14-8-5-9-15-27)42-32(45)28(38)23-26-12-6-4-7-13-26/h4-9,12-15,25,28-31,40H,10-11,16-24,38-39H2,1-3H3,(H,41,46)(H,42,45)(H,43,47)(H,49,50)/t28-,29-,30-,31-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0520	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235783 (US9359399, 4) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCN)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C40H59N7O6/c1-27(2)24-33(45-38(50)34(26-29-14-7-4-8-15-29)44-36(48)31(42)25-28-12-5-3-6-13-28)37(49)43-32(16-9-10-20-41)39(51)46-22-18-30(19-23-46)47-21-11-17-35(47)40(52)53/h3-8,12-15,27,30-35H,9-11,16-26,41-42H2,1-2H3,(H,43,49)(H,44,48)(H,45,50)(H,52,53)/t31-,32-,33-,34-,35+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0750	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235784 (US9359399, 5) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C41H61N9O6/c1-27(2)24-33(48-38(53)34(26-29-14-7-4-8-15-29)47-36(51)31(42)25-28-12-5-3-6-13-28)37(52)46-32(16-9-10-20-45-41(43)44)39(54)49-22-18-30(19-23-49)50-21-11-17-35(50)40(55)56/h3-8,12-15,27,30-35H,9-11,16-26,42H2,1-2H3,(H,46,52)(H,47,51)(H,48,53)(H,55,56)(H4,43,44,45)/t31-,32-,33-,34-,35+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0340	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235794 (US9359399, 6) Show SMILES CNCCCC[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N1CCC(CC1)N1CCC[C@H]1C(O)=O |r| Show InChI InChI=1S/C41H61N7O6/c1-28(2)25-34(46-39(51)35(27-30-15-8-5-9-16-30)45-37(49)32(42)26-29-13-6-4-7-14-29)38(50)44-33(17-10-11-21-43-3)40(52)47-23-19-31(20-24-47)48-22-12-18-36(48)41(53)54/h4-9,13-16,28,31-36,43H,10-12,17-27,42H2,1-3H3,(H,44,50)(H,45,49)(H,46,51)(H,53,54)/t32-,33-,34-,35-,36+/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0360	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235795 (US9359399, 7) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCNC(N)=N)C(=O)N1CCCNCC1 |r| Show InChI InChI=1S/C35H53N9O4/c1-24(2)21-29(32(46)41-28(15-9-17-40-35(37)38)34(48)44-19-10-16-39-18-20-44)43-33(47)30(23-26-13-7-4-8-14-26)42-31(45)27(36)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30,39H,9-10,15-23,36H2,1-2H3,(H,41,46)(H,42,45)(H,43,47)(H4,37,38,40)/t27-,28-,29-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0120	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235796 (US9359399, 8) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O |r| Show InChI InChI=1S/C37H55N9O6/c1-24(2)21-29(32(48)43-28(15-9-10-18-42-36(39)40)34(50)46-19-16-37(41,17-20-46)35(51)52)45-33(49)30(23-26-13-7-4-8-14-26)44-31(47)27(38)22-25-11-5-3-6-12-25/h3-8,11-14,24,27-30H,9-10,15-23,38,41H2,1-2H3,(H,43,48)(H,44,47)(H,45,49)(H,51,52)(H4,39,40,42)/t27-,28-,29-,30-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0430	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235797 (US9359399, 9) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CCCCNC(C)C)C(=O)N1CCC(N)(CC1)C(O)=O |r| Show InChI InChI=1S/C39H59N7O6/c1-26(2)23-32(35(48)43-31(17-11-12-20-42-27(3)4)37(50)46-21-18-39(41,19-22-46)38(51)52)45-36(49)33(25-29-15-9-6-10-16-29)44-34(47)30(40)24-28-13-7-5-8-14-28/h5-10,13-16,26-27,30-33,42H,11-12,17-25,40-41H2,1-4H3,(H,43,48)(H,44,47)(H,45,49)(H,51,52)/t30-,31-,32-,33-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.0780	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Mus musculus (Mouse))	BDBM235798 (US9359399, 10) Show SMILES CC(C)C[C@@H](NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@H](N)Cc1ccccc1)C(=O)N[C@H](CNC(N)=N)C(=O)N1CCC(N)(CC1)C(O)=O |r| Show InChI InChI=1S/C34H49N9O6/c1-21(2)17-25(29(45)42-27(20-39-33(36)37)31(47)43-15-13-34(38,14-16-43)32(48)49)41-30(46)26(19-23-11-7-4-8-12-23)40-28(44)24(35)18-22-9-5-3-6-10-22/h3-12,21,24-27H,13-20,35,38H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)(H,48,49)(H4,36,37,39)/t24-,25-,26-,27-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	0.826	n/a	n/a	n/a	25
Cara Therapeutics, Inc. US Patent					Assay Description Mouse R1.G1 cells (ATCC, Manassas, Va.) were grown in suspension in high glucose-DMEM (Dulbecco's Modified Eagle's Medium, Cellgro, Herndon, Va.) con...				US Patent US9359399 (2016) BindingDB Entry DOI: 10.7270/Q23B5Z2C
					More data for this Ligand-Target Pair

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