Compile Data Set for Download or QSAR

Found 38 hits with Last Name = 'fong' and Initial = 'i'   

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 (GUINEA PIG)	BDBM25400 ((2R,3R,4S,5R)-2-[6-(cyclopentylamino)-9H-purin-9-y...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O4/c21-5-9-11(22)12(23)15(24-9)20-7-18-10-13(16-6-17-14(10)20)19-8-3-1-2-4-8/h6-9,11-12,15,21-23H,1-5H2,(H,16,17,19)/t9-,11-,12-,15-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 19.5+/-12.0				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50366924 (CHEMBL609539) Show SMILES O[C@@H]1[C@@H](COc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H22FN5O5/c21-12-3-1-2-4-13(12)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,14-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	117	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 117+/-46				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50452006 (CHEMBL610371) Show SMILES O[C@@H]1[C@@H](CSc2nccs2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C17H20N6O4S2/c24-12-10(6-29-17-18-2-4-28-17)27-16(13(12)25)23-8-21-11-14(19-7-20-15(11)23)22-9-1-3-26-5-9/h2,4,7-10,12-13,16,24-25H,1,3,5-6H2,(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 158+/-21				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451992 (CHEMBL609537) Show SMILES O[C@@H]1[C@@H](COCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C21H25N5O5/c27-17-15(10-30-8-13-4-2-1-3-5-13)31-21(18(17)28)26-12-24-16-19(22-11-23-20(16)26)25-14-6-7-29-9-14/h1-5,11-12,14-15,17-18,21,27-28H,6-10H2,(H,22,23,25)/t14?,15-,17-,18-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451996 (CHEMBL608020) Show SMILES O[C@@H]1[C@@H](CSc2nccs2)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C18H22N6O3S2/c25-13-11(7-29-18-19-5-6-28-18)27-17(14(13)26)24-9-22-12-15(20-8-21-16(12)24)23-10-3-1-2-4-10/h5-6,8-11,13-14,17,25-26H,1-4,7H2,(H,20,21,23)/t11-,13-,14-,17?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	166	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 166+/-75				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451986 (CHEMBL608343) Show SMILES Cc1cc(COC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(NC4CCOC4)ncnc23)no1 |r| Show InChI InChI=1S/C19H24N6O6/c1-10-4-12(24-31-10)6-29-7-13-15(26)16(27)19(30-13)25-9-22-14-17(20-8-21-18(14)25)23-11-2-3-28-5-11/h4,8-9,11,13,15-16,19,26-27H,2-3,5-7H2,1H3,(H,20,21,23)/t11?,13-,15-,16-,19?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	192	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451998 (CHEMBL611856) Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C21H24FN5O3S/c22-13-7-3-4-8-15(13)31-9-14-17(28)18(29)21(30-14)27-11-25-16-19(23-10-24-20(16)27)26-12-5-1-2-6-12/h3-4,7-8,10-12,14,17-18,21,28-29H,1-2,5-6,9H2,(H,23,24,26)/t14-,17-,18-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	287	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 287+/-125				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451989 (CHEMBL608642) Show SMILES O[C@@H]1[C@@H](CSc2ccccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H22ClN5O4S/c21-12-3-1-2-4-14(12)31-8-13-16(27)17(28)20(30-13)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,13,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,13-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	338	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 338+/-98				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451983 (CHEMBL610953) Show SMILES O[C@@H]1[C@@H](COc2ccc(F)cc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H22FN5O5/c21-11-1-3-13(4-2-11)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-12-5-6-29-7-12/h1-4,9-10,12,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t12?,14-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	343	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 343+/-137				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50452003 (CHEMBL609532) Show SMILES COc1ccc2sc(SC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(NC5CCCC5)ncnc34)nc2c1 |r| Show InChI InChI=1S/C23H26N6O4S2/c1-32-13-6-7-16-14(8-13)28-23(35-16)34-9-15-18(30)19(31)22(33-15)29-11-26-17-20(24-10-25-21(17)29)27-12-4-2-3-5-12/h6-8,10-12,15,18-19,22,30-31H,2-5,9H2,1H3,(H,24,25,27)/t15-,18-,19-,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	354	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 354+/-113				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451994 (CHEMBL608940) Show SMILES O[C@@H]1[C@@H](CSc2nc3ccccc3s2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C21H22N6O4S2/c28-16-13(8-32-21-26-12-3-1-2-4-14(12)33-21)31-20(17(16)29)27-10-24-15-18(22-9-23-19(15)27)25-11-5-6-30-7-11/h1-4,9-11,13,16-17,20,28-29H,5-8H2,(H,22,23,25)/t11?,13-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt 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
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 400+/-38				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50452005 (CHEMBL612173) Show SMILES O[C@@H]1[C@@H](COc2ccccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H22ClN5O5/c21-12-3-1-2-4-13(12)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,14-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	473	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 473+/-329				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451982 (CHEMBL2092779) Show SMILES O[C@@H]1[C@@H](CSc2ccc(F)cc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H21F2N5O4S/c21-10-1-2-14(12(22)5-10)32-7-13-16(28)17(29)20(31-13)27-9-25-15-18(23-8-24-19(15)27)26-11-3-4-30-6-11/h1-2,5,8-9,11,13,16-17,20,28-29H,3-4,6-7H2,(H,23,24,26)/t11?,13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	494	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451985 (CHEMBL612179) Show SMILES Cc1ccccc1OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C21H25N5O5/c1-12-4-2-3-5-14(12)30-9-15-17(27)18(28)21(31-15)26-11-24-16-19(22-10-23-20(16)26)25-13-6-7-29-8-13/h2-5,10-11,13,15,17-18,21,27-28H,6-9H2,1H3,(H,22,23,25)/t13?,15-,17-,18-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	503	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 503+/-262				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50267574 (CHEMBL489638 | N6-Tetrahydrofuranyl-9H-[5-deoxy-5-...) Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H22FN5O4S/c21-12-3-1-2-4-14(12)31-8-13-16(27)17(28)20(30-13)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,13,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	506	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 506+/-111				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50138530 ((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	543	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451981 (CHEMBL608611) Show SMILES O[C@@H]1[C@@H](COc2cccc(F)c2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H22FN5O5/c21-11-2-1-3-13(6-11)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-12-4-5-29-7-12/h1-3,6,9-10,12,14,16-17,20,27-28H,4-5,7-8H2,(H,22,23,25)/t12?,14-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	604	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 604+/-241				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451990 (CHEMBL609538) Show SMILES O[C@@H]1[C@@H](CSc2c(Cl)cccc2Cl)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H21Cl2N5O4S/c21-11-2-1-3-12(22)17(11)32-7-13-15(28)16(29)20(31-13)27-9-25-14-18(23-8-24-19(14)27)26-10-4-5-30-6-10/h1-3,8-10,13,15-16,20,28-29H,4-7H2,(H,23,24,26)/t10?,13-,15-,16-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	614	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 614+/-78				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50452001 (CHEMBL608941) Show SMILES O[C@@H]1[C@@H](CSc2ccccn2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C19H22N6O4S/c26-15-12(8-30-13-3-1-2-5-20-13)29-19(16(15)27)25-10-23-14-17(21-9-22-18(14)25)24-11-4-6-28-7-11/h1-3,5,9-12,15-16,19,26-27H,4,6-8H2,(H,21,22,24)/t11?,12-,15-,16-,19?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	894	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 894+/-659				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451999 (CHEMBL608018) Show SMILES O[C@@H]1[C@@H](CSc2ncccn2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C18H21N7O4S/c26-13-11(7-30-18-19-3-1-4-20-18)29-17(14(13)27)25-9-23-12-15(21-8-22-16(12)25)24-10-2-5-28-6-10/h1,3-4,8-11,13-14,17,26-27H,2,5-7H2,(H,21,22,24)/t10?,11-,13-,14-,17?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	913	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 913+/-517				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50452002 (CHEMBL609235) Show SMILES Cc1ccccc1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C21H25N5O4S/c1-12-4-2-3-5-15(12)31-9-14-17(27)18(28)21(30-14)26-11-24-16-19(22-10-23-20(16)26)25-13-6-7-29-8-13/h2-5,10-11,13-14,17-18,21,27-28H,6-9H2,1H3,(H,22,23,25)/t13?,14-,17-,18-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1143+/-426				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50452004 (CHEMBL609233) Show SMILES Cn1ccnc1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C19H25N7O3S/c1-25-7-6-20-19(25)30-8-12-14(27)15(28)18(29-12)26-10-23-13-16(21-9-22-17(13)26)24-11-4-2-3-5-11/h6-7,9-12,14-15,18,27-28H,2-5,8H2,1H3,(H,21,22,24)/t12-,14-,15-,18?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.34E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451991 (CHEMBL608938) Show SMILES O[C@@H]1[C@@H](CSc2cccc(F)c2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H22FN5O4S/c21-11-2-1-3-13(6-11)31-8-14-16(27)17(28)20(30-14)26-10-24-15-18(22-9-23-19(15)26)25-12-4-5-29-7-12/h1-3,6,9-10,12,14,16-17,20,27-28H,4-5,7-8H2,(H,22,23,25)/t12?,14-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.57E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1571+/-245				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451984 (CHEMBL609820) Show SMILES COc1ccc2nc(SC[C@H]3OC([C@H](O)[C@@H]3O)n3cnc4c(NC5CCCC5)ncnc34)sc2c1 |r| Show InChI InChI=1S/C23H26N6O4S2/c1-32-13-6-7-14-16(8-13)35-23(28-14)34-9-15-18(30)19(31)22(33-15)29-11-26-17-20(24-10-25-21(17)29)27-12-4-2-3-5-12/h6-8,10-12,15,18-19,22,30-31H,2-5,9H2,1H3,(H,24,25,27)/t15-,18-,19-,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.67E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1666+/-556				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451987 (CHEMBL607733) Show SMILES O[C@@H]1[C@@H](CSc2nc3ccccc3s2)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C22H24N6O3S2/c29-17-14(9-32-22-27-13-7-3-4-8-15(13)33-22)31-21(18(17)30)28-11-25-16-19(23-10-24-20(16)28)26-12-5-1-2-6-12/h3-4,7-8,10-12,14,17-18,21,29-30H,1-2,5-6,9H2,(H,23,24,26)/t14-,17-,18-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.77E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1773+/-209				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451980 (CHEMBL609817) Show SMILES O[C@@H]1[C@@H](CSc2nc3ccc(Cl)cc3o2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C21H21ClN6O5S/c22-10-1-2-12-13(5-10)33-21(27-12)34-7-14-16(29)17(30)20(32-14)28-9-25-15-18(23-8-24-19(15)28)26-11-3-4-31-6-11/h1-2,5,8-9,11,14,16-17,20,29-30H,3-4,6-7H2,(H,23,24,26)/t11?,14-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 1945+/-1316				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50138533 (CHEMBL150950 | Methyl-carbamic acid (2R,3R,5R)-3,4...) Show SMILES CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C16H22N6O6/c1-17-16(25)27-5-9-11(23)12(24)15(28-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-26-4-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,25)(H,18,19,21)/t8?,9-,11-,12-,15?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451997 (CHEMBL608340) Show SMILES Cn1ccnc1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C18H23N7O4S/c1-24-4-3-19-18(24)30-7-11-13(26)14(27)17(29-11)25-9-22-12-15(20-8-21-16(12)25)23-10-2-5-28-6-10/h3-4,8-11,13-14,17,26-27H,2,5-7H2,1H3,(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.19E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]-CPX in guinea pig DDT membrane; 4191+/-922				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451993 (CHEMBL609536) Show SMILES O[C@@H]1[C@@H](COc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 |r| Show InChI InChI=1S/C21H24FN5O4/c22-13-7-3-4-8-14(13)30-9-15-17(28)18(29)21(31-15)27-11-25-16-19(23-10-24-20(16)27)26-12-5-1-2-6-12/h3-4,7-8,10-12,15,17-18,21,28-29H,1-2,5-6,9H2,(H,23,24,26)/t15-,17-,18-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.39E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451988 (CHEMBL607734) Show SMILES Cc1csc(SC[C@H]2OC([C@H](O)[C@@H]2O)n2cnc3c(NC4CCOC4)ncnc23)n1 |r| Show InChI InChI=1S/C18H22N6O4S2/c1-9-5-29-18(22-9)30-6-11-13(25)14(26)17(28-11)24-8-21-12-15(19-7-20-16(12)24)23-10-2-3-27-4-10/h5,7-8,10-11,13-14,17,25-26H,2-4,6H2,1H3,(H,19,20,23)/t10?,11-,13-,14-,17?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451982 (CHEMBL2092779) Show SMILES O[C@@H]1[C@@H](CSc2ccc(F)cc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H21F2N5O4S/c21-10-1-2-14(12(22)5-10)32-7-13-16(28)17(29)20(31-13)27-9-25-15-18(23-8-24-19(15)27)26-11-3-4-30-6-11/h1-2,5,8-9,11,13,16-17,20,28-29H,3-4,6-7H2,(H,23,24,26)/t11?,13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 5497+/-180				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451995 (CHEMBL608341) Show SMILES Cc1cccc(C)c1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C22H27N5O4S/c1-12-4-3-5-13(2)19(12)32-9-15-17(28)18(29)22(31-15)27-11-25-16-20(23-10-24-21(16)27)26-14-6-7-30-8-14/h3-5,10-11,14-15,17-18,22,28-29H,6-9H2,1-2H3,(H,23,24,26)/t14?,15-,17-,18-,22?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5.86E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 5855+/-1208				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50452000 (CHEMBL609793) Show SMILES O[C@@H]1[C@@H](CSc2ccccc2C(F)(F)F)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C21H22F3N5O4S/c22-21(23,24)12-3-1-2-4-14(12)34-8-13-16(30)17(31)20(33-13)29-10-27-15-18(25-9-26-19(15)29)28-11-5-6-32-7-11/h1-4,9-11,13,16-17,20,30-31H,5-8H2,(H,25,26,28)/t11?,13-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.25E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 6250+/-1767				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50451979 (CHEMBL610411) Show SMILES Cc1cccc(Cl)c1SC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C21H24ClN5O4S/c1-11-3-2-4-13(22)18(11)32-8-14-16(28)17(29)21(31-14)27-10-25-15-19(23-9-24-20(15)27)26-12-5-6-30-7-12/h2-4,9-10,12,14,16-17,21,28-29H,5-8H2,1H3,(H,23,24,26)/t12?,14-,16-,17-,21?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 7292+/-3241				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50138530 ((2R,3R,5R)-2-Hydroxymethyl-5-{6-[(R)-(tetrahydro-f...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@@H]3CCOC3)ncnc12 Show InChI InChI=1S/C14H19N5O5/c20-3-8-10(21)11(22)14(24-8)19-6-17-9-12(15-5-16-13(9)19)18-7-1-2-23-4-7/h5-8,10-11,14,20-22H,1-4H2,(H,15,16,18)/t7?,8-,10-,11-,14?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	41	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50267574 (CHEMBL489638 | N6-Tetrahydrofuranyl-9H-[5-deoxy-5-...) Show SMILES O[C@@H]1[C@@H](CSc2ccccc2F)O[C@H]([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H22FN5O4S/c21-12-3-1-2-4-14(12)31-8-13-16(27)17(28)20(30-13)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,13,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,13-,16-,17-,20-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 543+/-182				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50366924 (CHEMBL609539) Show SMILES O[C@@H]1[C@@H](COc2ccccc2F)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 |r| Show InChI InChI=1S/C20H22FN5O5/c21-12-3-1-2-4-13(12)30-8-14-16(27)17(28)20(31-14)26-10-24-15-18(22-9-23-19(15)26)25-11-5-6-29-7-11/h1-4,9-11,14,16-17,20,27-28H,5-8H2,(H,22,23,25)/t11?,14-,16-,17-,20?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	200	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Binding affinity against adenosine A1 receptor using [3H]CPX in guinea pig DDT membrane; 3612+/-1937				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair
Adenosine receptor A1 (GUINEA PIG)	BDBM50138533 (CHEMBL150950 | Methyl-carbamic acid (2R,3R,5R)-3,4...) Show SMILES CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C16H22N6O6/c1-17-16(25)27-5-9-11(23)12(24)15(28-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-26-4-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,25)(H,18,19,21)/t8?,9-,11-,12-,15?/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	2.80E+3	n/a	n/a	n/a	n/a
CV Therapeutics, Inc. Curated by ChEMBL					Assay Description Agonistic activity against adenosine A1 receptor in guinea pig isolated hearts				Bioorg Med Chem Lett 14: 3793-7 (2004) Article DOI: 10.1016/j.bmcl.2004.04.096 BindingDB Entry DOI: 10.7270/Q20Z73TX
					More data for this Ligand-Target Pair