Compile Data Set for Download or QSAR

Found 4221 hits with Last Name = 'ibrahim' and Initial = 'p'   

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))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138535 (Benzyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-...) Show SMILES O[C@@H]1[C@@H](COC(=S)NCc2ccccc2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C22H26N6O5S/c29-17-15(10-32-22(34)23-8-13-4-2-1-3-5-13)33-21(18(17)30)28-12-26-16-19(24-11-25-20(16)28)27-14-6-7-31-9-14/h1-5,11-12,14-15,17-18,21,29-30H,6-10H2,(H,23,34)(H,24,25,27)/t14?,15-,17-,18-,21?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
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 (Homo sapiens (Human))	BDBM50138525 (CHEMBL358613 | Ethyl-thiocarbamic acid (2R,3S,4R)-...) Show SMILES CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C17H24N6O5S/c1-2-18-17(29)27-6-10-12(24)13(25)16(28-10)23-8-21-11-14(19-7-20-15(11)23)22-9-3-4-26-5-9/h7-10,12-13,16,24-25H,2-6H2,1H3,(H,18,29)(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138524 (Allyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5...) Show SMILES O[C@@H]1[C@@H](COC(=S)NCC=C)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H24N6O5S/c1-2-4-19-18(30)28-7-11-13(25)14(26)17(29-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-27-6-10/h2,8-11,13-14,17,25-26H,1,3-7H2,(H,19,30)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	35	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138540 (CHEMBL150676 | Isopropyl-thiocarbamic acid (2R,3S,...) Show SMILES CC(C)NC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H26N6O5S/c1-9(2)22-18(30)28-6-11-13(25)14(26)17(29-11)24-8-21-12-15(19-7-20-16(12)24)23-10-3-4-27-5-10/h7-11,13-14,17,25-26H,3-6H2,1-2H3,(H,22,30)(H,19,20,23)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138527 (CHEMBL150348 | Methyl-thiocarbamic acid (2R,3S,4R)...) Show SMILES CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C16H22N6O5S/c1-17-16(28)26-5-9-11(23)12(24)15(27-9)22-7-20-10-13(18-6-19-14(10)22)21-8-2-3-25-4-8/h6-9,11-12,15,23-24H,2-5H2,1H3,(H,17,28)(H,18,19,21)/t8?,9-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	45	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138534 (CHEMBL149520 | Propyl-thiocarbamic acid (2R,3S,4R)...) Show SMILES CCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H26N6O5S/c1-2-4-19-18(30)28-7-11-13(25)14(26)17(29-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-27-6-10/h8-11,13-14,17,25-26H,2-7H2,1H3,(H,19,30)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138541 (CHEMBL151050 | Ethyl-thiocarbamic acid (2R,3S,4R)-...) Show SMILES CCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C17H23ClN6O5S/c1-2-19-17(30)28-6-9-11(25)12(26)15(29-9)24-7-20-10-13(21-8-3-4-27-5-8)22-16(18)23-14(10)24/h7-9,11-12,15,25-26H,2-6H2,1H3,(H,19,30)(H,21,22,23)/t8?,9-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50138545 ((3R,4S,5R)-2-(6-Cyclopentylamino-purin-9-yl)-5-met...) Show SMILES C[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCC3)ncnc12 Show InChI InChI=1S/C15H21N5O3/c1-8-11(21)12(22)15(23-8)20-7-18-10-13(16-6-17-14(10)20)19-9-4-2-3-5-9/h6-9,11-12,15,21-22H,2-5H2,1H3,(H,16,17,19)/t8-,11-,12-,15?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity against rat Adenosine A1 receptor				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138536 (CHEMBL358227 | Methyl-thiocarbamic acid (2R,3S,4R)...) Show SMILES CNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O5S/c1-18-16(29)27-5-8-10(24)11(25)14(28-8)23-6-19-9-12(20-7-2-3-26-4-7)21-15(17)22-13(9)23/h6-8,10-11,14,24-25H,2-5H2,1H3,(H,18,29)(H,20,21,22)/t7?,8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	71	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138544 (CHEMBL356610 | Cyclopentyl-thiocarbamic acid (2R,3...) Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C20H28N6O5S/c27-15-13(8-30-20(32)25-11-3-1-2-4-11)31-19(16(15)28)26-10-23-14-17(21-9-22-18(14)26)24-12-5-6-29-7-12/h9-13,15-16,19,27-28H,1-8H2,(H,25,32)(H,21,22,24)/t12?,13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	72	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138547 (CHEMBL151169 | Isopropyl-carbamic acid (2R,3S,4R)-...) Show SMILES CC(C)NC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H26N6O6/c1-9(2)22-18(27)29-6-11-13(25)14(26)17(30-11)24-8-21-12-15(19-7-20-16(12)24)23-10-3-4-28-5-10/h7-11,13-14,17,25-26H,3-6H2,1-2H3,(H,22,27)(H,19,20,23)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138521 (CHEMBL149790 | Methyl-carbamic acid (2R,3S,4R)-5-{...) Show SMILES CNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C16H21ClN6O6/c1-18-16(26)28-5-8-10(24)11(25)14(29-8)23-6-19-9-12(20-7-2-3-27-4-7)21-15(17)22-13(9)23/h6-8,10-11,14,24-25H,2-5H2,1H3,(H,18,26)(H,20,21,22)/t7?,8-,10-,11-,14?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	96	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					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 (Homo sapiens (Human))	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 Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138543 (CHEMBL150944 | Cyclobutyl-thiocarbamic acid (2R,3S...) Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C19H26N6O5S/c26-14-12(7-29-19(31)24-10-2-1-3-10)30-18(15(14)27)25-9-22-13-16(20-8-21-17(13)25)23-11-4-5-28-6-11/h8-12,14-15,18,26-27H,1-7H2,(H,24,31)(H,20,21,23)/t11?,12-,14-,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	148	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138532 (CHEMBL151074 | Cyclopropyl-thiocarbamic acid (2R,3...) Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H24N6O5S/c25-13-11(6-28-18(30)23-9-1-2-9)29-17(14(13)26)24-8-21-12-15(19-7-20-16(12)24)22-10-3-4-27-5-10/h7-11,13-14,17,25-26H,1-6H2,(H,23,30)(H,19,20,22)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138537 (Butyl-thiocarbamic acid (2R,3S,4R)-3,4-dihydroxy-5...) Show SMILES CCCCNC(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C19H28N6O5S/c1-2-3-5-20-19(31)29-8-12-14(26)15(27)18(30-12)25-10-23-13-16(21-9-22-17(13)25)24-11-4-6-28-7-11/h9-12,14-15,18,26-27H,2-8H2,1H3,(H,20,31)(H,21,22,24)/t11?,12-,14-,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	157	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					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 (Homo sapiens (Human))	BDBM50138548 (CHEMBL150240 | Ethyl-carbamic acid (2R,3S,4R)-3,4-...) Show SMILES CCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C17H24N6O6/c1-2-18-17(26)28-6-10-12(24)13(25)16(29-10)23-8-21-11-14(19-7-20-15(11)23)22-9-3-4-27-5-9/h7-10,12-13,16,24-25H,2-6H2,1H3,(H,18,26)(H,19,20,22)/t9?,10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					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 (Homo sapiens (Human))	BDBM50138542 (CHEMBL150490 | Dimethyl-thiocarbamic acid (2R,3S,4...) Show SMILES CN(C)C(=S)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C17H24N6O5S/c1-22(2)17(29)27-6-10-12(24)13(25)16(28-10)23-8-20-11-14(18-7-19-15(11)23)21-9-3-4-26-5-9/h7-10,12-13,16,24-25H,3-6H2,1-2H3,(H,18,19,21)/t9?,10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	205	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138551 (CHEMBL150604 | Cyclopropyl-carbamic acid (2R,3S,4R...) Show SMILES O[C@@H]1[C@@H](COC(=O)NC2CC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H24N6O6/c25-13-11(6-29-18(27)23-9-1-2-9)30-17(14(13)26)24-8-21-12-15(19-7-20-16(12)24)22-10-3-4-28-5-10/h7-11,13-14,17,25-26H,1-6H2,(H,23,27)(H,19,20,22)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	209	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138523 (CHEMBL358218 | Cyclopentyl-carbamic acid (2R,3S,4R...) Show SMILES O[C@H]1[C@@H](O)C(O[C@@H]1COC(=O)NC1CCCC1)n1cnc2c(NC3CCOC3)nc(Cl)nc12 Show InChI InChI=1S/C20H27ClN6O6/c21-19-25-16(23-11-5-6-31-7-11)13-17(26-19)27(9-22-13)18-15(29)14(28)12(33-18)8-32-20(30)24-10-3-1-2-4-10/h9-12,14-15,18,28-29H,1-8H2,(H,24,30)(H,23,25,26)/t11?,12-,14-,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	226	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138546 (CHEMBL151046 | Propyl-carbamic acid (2R,3S,4R)-3,4...) Show SMILES CCCNC(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C18H26N6O6/c1-2-4-19-18(27)29-7-11-13(25)14(26)17(30-11)24-9-22-12-15(20-8-21-16(12)24)23-10-3-5-28-6-10/h8-11,13-14,17,25-26H,2-7H2,1H3,(H,19,27)(H,20,21,23)/t10?,11-,13-,14-,17?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	235	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138550 (CHEMBL150517 | Dimethyl-carbamic acid (2R,3S,4R)-3...) Show SMILES CN(C)C(=O)OC[C@H]1OC([C@H](O)[C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C17H24N6O6/c1-22(2)17(26)28-6-10-12(24)13(25)16(29-10)23-8-20-11-14(18-7-19-15(11)23)21-9-3-4-27-5-9/h7-10,12-13,16,24-25H,3-6H2,1-2H3,(H,18,19,21)/t9?,10-,12-,13-,16?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	238	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138529 (CHEMBL357055 | Cyclohexyl-thiocarbamic acid (2R,3S...) Show SMILES O[C@@H]1[C@@H](COC(=S)NC2CCCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C21H30N6O5S/c28-16-14(9-31-21(33)26-12-4-2-1-3-5-12)32-20(17(16)29)27-11-24-15-18(22-10-23-19(15)27)25-13-6-7-30-8-13/h10-14,16-17,20,28-29H,1-9H2,(H,26,33)(H,22,23,25)/t13?,14-,16-,17-,20?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	253	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					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 (Homo sapiens (Human))	BDBM50138549 (CHEMBL149735 | Cyclobutyl-carbamic acid (2R,3S,4R)...) Show SMILES O[C@@H]1[C@@H](COC(=O)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C19H26N6O6/c26-14-12(7-30-19(28)24-10-2-1-3-10)31-18(15(14)27)25-9-22-13-16(20-8-21-17(13)25)23-11-4-5-29-6-11/h8-12,14-15,18,26-27H,1-7H2,(H,24,28)(H,20,21,23)/t11?,12-,14-,15-,18?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	306	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50138531 (CHEMBL356776 | Cyclopentyl-carbamic acid (2R,3S,4R...) Show SMILES O[C@@H]1[C@@H](COC(=O)NC2CCCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12 Show InChI InChI=1S/C20H28N6O6/c27-15-13(8-31-20(29)25-11-3-1-2-4-11)32-19(16(15)28)26-10-23-14-17(21-9-22-18(14)26)24-12-5-6-30-7-12/h9-13,15-16,19,27-28H,1-8H2,(H,25,29)(H,21,22,24)/t12?,13-,15-,16-,19?/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	321	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CV Therapeutics Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor determined using hamster DDT1 cell membranes with [3H]-CCPA as radioligand				Bioorg Med Chem Lett 14: 535-9 (2003) BindingDB Entry DOI: 10.7270/Q2QZ29DN
					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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM368992 (4-chloro-N-[3-fluoro-4-[6-methoxy-7- [3-(1-piperid...) Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)-c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C29H30ClFN4O4S/c1-38-27-17-24-26(18-28(27)39-15-5-14-35-12-3-2-4-13-35)32-19-33-29(24)23-11-8-21(16-25(23)31)34-40(36,37)22-9-6-20(30)7-10-22/h6-11,16-19,34H,2-5,12-15H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V] (Homo sapiens (Human))	BDBM368992 (4-chloro-N-[3-fluoro-4-[6-methoxy-7- [3-(1-piperid...) Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)-c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1F Show InChI InChI=1S/C29H30ClFN4O4S/c1-38-27-17-24-26(18-28(27)39-15-5-14-35-12-3-2-4-13-35)32-19-33-29(24)23-11-8-21(16-25(23)31)34-40(36,37)22-9-6-20(30)7-10-22/h6-11,16-19,34H,2-5,12-15H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V] (Homo sapiens (Human))	BDBM368993 (N-[3-fluoro-4-[6-methoxy-7-[3-(1- piperidyl)propox...) Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)-c1ccc(NS(=O)(=O)C2CC2)cc1F Show InChI InChI=1S/C26H31FN4O4S/c1-34-24-15-21-23(16-25(24)35-13-5-12-31-10-3-2-4-11-31)28-17-29-26(21)20-9-6-18(14-22(20)27)30-36(32,33)19-7-8-19/h6,9,14-17,19,30H,2-5,7-8,10-13H2,1H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V] (Homo sapiens (Human))	BDBM368990 (1,1,1-trideuterio-N-[3-fluoro-4-[6- methoxy-7-[3-(...) Show SMILES COc1cc2c(ncnc2cc1OCCCN1CCCCC1)-c1ccc(NS(C)(=O)=O)cc1F Show InChI InChI=1S/C24H29FN4O4S/c1-32-22-14-19-21(15-23(22)33-12-6-11-29-9-4-3-5-10-29)26-16-27-24(19)18-8-7-17(13-20(18)25)28-34(2,30)31/h7-8,13-16,28H,3-6,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V] (Homo sapiens (Human))	BDBM368995 (N-[4-[6,7-bis(2- methoxyethoxy)quinazolin-4-yl]-3-...) Show SMILES COCCOc1cc2ncnc(-c3ccc(NS(=O)(=O)c4ccc(OC(F)F)cc4)cc3F)c2cc1OCCOC Show InChI InChI=1S/C27H26F3N3O7S/c1-36-9-11-38-24-14-21-23(15-25(24)39-12-10-37-2)31-16-32-26(21)20-8-3-17(13-22(20)28)33-41(34,35)19-6-4-18(5-7-19)40-27(29)30/h3-8,13-16,27,33H,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V] (Homo sapiens (Human))	BDBM368996 (N-[4-[6,7-bis(2- methoxyethoxy)quinazolin-4-yl]-3-...) Show SMILES COCCOc1cc2ncnc(-c3ccc(NS(=O)(=O)c4cccc(F)c4)cc3F)c2cc1OCCOC Show InChI InChI=1S/C26H25F2N3O6S/c1-34-8-10-36-24-14-21-23(15-25(24)37-11-9-35-2)29-16-30-26(21)20-7-6-18(13-22(20)28)31-38(32,33)19-5-3-4-17(27)12-19/h3-7,12-16,31H,8-11H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM368997 (N-[4-[6,7-bis(2- methoxyethoxy)quinazolin-4-yl]-3-...) Show SMILES COCCOc1cc2ncnc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3F)c2cc1OCCOC Show InChI InChI=1S/C26H25ClFN3O6S/c1-34-9-11-36-24-14-21-23(15-25(24)37-12-10-35-2)29-16-30-26(21)20-8-5-18(13-22(20)28)31-38(32,33)19-6-3-17(27)4-7-19/h3-8,13-16,31H,9-12H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V] (Homo sapiens (Human))	BDBM368997 (N-[4-[6,7-bis(2- methoxyethoxy)quinazolin-4-yl]-3-...) Show SMILES COCCOc1cc2ncnc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3F)c2cc1OCCOC Show InChI InChI=1S/C26H25ClFN3O6S/c1-34-9-11-36-24-14-21-23(15-25(24)37-12-10-35-2)29-16-30-26(21)20-8-5-18(13-22(20)28)31-38(32,33)19-6-3-17(27)4-7-19/h3-8,13-16,31H,9-12H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM368998 (N-[4-[6,7-bis(2- methoxyethoxy)quinazolin-4-yl]-3-...) Show SMILES COCCOc1cc2ncnc(-c3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3F)c2cc1OCCOC Show InChI InChI=1S/C27H28FN3O7S/c1-34-10-12-37-25-15-22-24(16-26(25)38-13-11-35-2)29-17-30-27(22)21-9-4-18(14-23(21)28)31-39(32,33)20-7-5-19(36-3)6-8-20/h4-9,14-17,31H,10-13H2,1-3H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V] (Homo sapiens (Human))	BDBM368998 (N-[4-[6,7-bis(2- methoxyethoxy)quinazolin-4-yl]-3-...) Show SMILES COCCOc1cc2ncnc(-c3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3F)c2cc1OCCOC Show InChI InChI=1S/C27H28FN3O7S/c1-34-10-12-37-25-15-22-24(16-26(25)38-13-11-35-2)29-17-30-27(22)21-9-4-18(14-23(21)28)31-39(32,33)20-7-5-19(36-3)6-8-20/h4-9,14-17,31H,10-13H2,1-3H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair
Mast/stem cell growth factor receptor Kit [D816V] (Homo sapiens (Human))	BDBM368999 (N-[4-[6,7-bis(2- methoxyethoxy)quinazolin-4-yl]-3-...) Show SMILES COCCOc1cc2ncnc(-c3ccc(NS(=O)(=O)C4CC4)cc3F)c2cc1OCCOC Show InChI InChI=1S/C23H26FN3O6S/c1-30-7-9-32-21-12-18-20(13-22(21)33-10-8-31-2)25-14-26-23(18)17-6-3-15(11-19(17)24)27-34(28,29)16-4-5-16/h3,6,11-14,16,27H,4-5,7-10H2,1-2H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sapienza Universitàadi Roma					Assay Description The c-Kit mutant D816V inhibitors were assessed using an engineered BaF3-FL KIT D816V or BaF3-FL KIT V560G/D816V cell line. The BaF3-FL KIT D816V cel...				J Med Chem 51: 1560-76 (2008) BindingDB Entry DOI: 10.7270/Q2HX1FZW
					More data for this Ligand-Target Pair

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