Compile Data Set for Download or QSAR

Found 79 hits with Last Name = 'bath' and Initial = 'c'   

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
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002465 (AZTMPPNP3'-azidothymidine 5'-[alpha,beta-imido]tri...) Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)OP([O-])(=O)NP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C9H15N6O12P3/c1-4-3-15(9(17)11-7(4)16)6-2-5(12-13-10)8(25-6)26-30(23,24)27-29(21,22)14-28(18,19)20/h3,5-6,8H,2H2,1H3,(H,23,24)(H,11,16,17)(H4,14,18,19,20,21,22)/p-4/t5-,6-,8-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	87	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).				J Med Chem 35: 1938-41 (1992) BindingDB Entry DOI: 10.7270/Q25B0336
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002470 (AZTTP3'-azido-3'-deoxythymidine 5'-triphosphate) Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C9H14N5O13P3/c1-4-3-14(9(16)11-7(4)15)6-2-5(12-13-10)8(24-6)25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5-6,8H,2H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/p-4/t5-,6-,8-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).				J Med Chem 35: 1938-41 (1992) BindingDB Entry DOI: 10.7270/Q25B0336
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002470 (AZTTP3'-azido-3'-deoxythymidine 5'-triphosphate) Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)OP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C9H14N5O13P3/c1-4-3-14(9(16)11-7(4)15)6-2-5(12-13-10)8(24-6)25-29(20,21)27-30(22,23)26-28(17,18)19/h3,5-6,8H,2H2,1H3,(H,20,21)(H,22,23)(H,11,15,16)(H2,17,18,19)/p-4/t5-,6-,8-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).				J Med Chem 35: 1938-41 (1992) BindingDB Entry DOI: 10.7270/Q25B0336
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002468 (TMPNPPthymidine 5'-[alpha,beta-imido]triphosphate) Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@H](OP([O-])(=O)NP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C9H16N3O13P3/c1-4-3-12(9(15)10-7(4)14)6-2-5(13)8(23-6)24-26(16,17)11-27(18,19)25-28(20,21)22/h3,5-6,8,13H,2H2,1H3,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/p-4/t5-,6-,8-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.40E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).				J Med Chem 35: 1938-41 (1992) BindingDB Entry DOI: 10.7270/Q25B0336
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002469 (ddTMPNPPDideoxythymidine 5'-[alpha,beta-imido]trip...) Show SMILES Cc1cn([C@H]2CC[C@@H](OP([O-])(=O)NP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C9H16N3O12P3/c1-5-4-12(9(14)10-8(5)13)6-2-3-7(22-6)23-25(15,16)11-26(17,18)24-27(19,20)21/h4,6-7H,2-3H2,1H3,(H,10,13,14)(H2,19,20,21)(H3,11,15,16,17,18)/p-4/t6-,7-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).				J Med Chem 35: 1938-41 (1992) BindingDB Entry DOI: 10.7270/Q25B0336
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002467 (TMPNPNPthymidine 5'-[alpha,beta:beta,alpha-diimido...) Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@H](OP([O-])(=O)NP([O-])(=O)NP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C9H17N4O12P3/c1-4-3-13(9(16)10-7(4)15)6-2-5(14)8(24-6)25-28(22,23)12-26(17,18)11-27(19,20)21/h3,5-6,8,14H,2H2,1H3,(H,10,15,16)(H6,11,12,17,18,19,20,21,22,23)/p-4/t5-,6-,8-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	1.91E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).				J Med Chem 35: 1938-41 (1992) BindingDB Entry DOI: 10.7270/Q25B0336
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002466 (AZTMPNPP3'-azido-3'-deoxythymidine 5'-[alpha,beta-...) Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)NP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C9H15N6O12P3/c1-4-3-15(9(17)11-7(4)16)6-2-5(12-13-10)8(25-6)26-28(18,19)14-29(20,21)27-30(22,23)24/h3,5-6,8H,2H2,1H3,(H,11,16,17)(H2,22,23,24)(H3,14,18,19,20,21)/p-4/t5-,6-,8-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description The compound was tested for the inhibition of human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).				J Med Chem 35: 1938-41 (1992) BindingDB Entry DOI: 10.7270/Q25B0336
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422267 (CHEMBL263079) Show SMILES CCNc1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC Show InChI InChI=1S/C17H17BrN4O3S/c1-3-19-13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)22-16-17(25-2)21-15(18)10-20-16/h4-10,19H,3H2,1-2H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.5	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422250 (CHEMBL268174) Show SMILES COc1nc(C)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C18H20N4O3S/c1-12-11-19-17(18(20-12)25-4)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-11H,1-4H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.90	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422234 (CHEMBL6412) Show SMILES COc1nc(Cl)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C17H17ClN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422254 (CHEMBL6785) Show SMILES CCN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC Show InChI InChI=1S/C18H19BrN4O3S/c1-4-23(2)14-9-5-8-13-12(14)7-6-10-15(13)27(24,25)22-17-18(26-3)21-16(19)11-20-17/h5-11H,4H2,1-3H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I] ET-1 to human Endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422257 (CHEMBL6555) Show SMILES CNc1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1OC Show InChI InChI=1S/C16H15BrN4O3S/c1-18-12-7-3-6-11-10(12)5-4-8-13(11)25(22,23)21-15-16(24-2)20-14(17)9-19-15/h3-9,18H,1-2H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50034435 (5-Dimethylamino-naphthalene-1-sulfonic acid (3,4-d...) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1onc(C)c1C Show InChI InChI=1S/C17H19N3O3S/c1-11-12(2)18-23-17(11)19-24(21,22)16-10-6-7-13-14(16)8-5-9-15(13)20(3)4/h5-10,19H,1-4H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422248 (CHEMBL6800) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C17H17BrN4O3S/c1-22(2)13-8-4-7-12-11(13)6-5-9-14(12)26(23,24)21-16-17(25-3)20-15(18)10-19-16/h4-10H,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002465 (AZTMPPNP3'-azidothymidine 5'-[alpha,beta-imido]tri...) Show SMILES Cc1cn([C@H]2C[C@@H](N=[N+]=[N-])[C@@H](OP([O-])(=O)OP([O-])(=O)NP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C9H15N6O12P3/c1-4-3-15(9(17)11-7(4)16)6-2-5(12-13-10)8(25-6)26-30(23,24)27-29(21,22)14-28(18,19)20/h3,5-6,8H,2H2,1H3,(H,23,24)(H,11,16,17)(H4,14,18,19,20,21,22)/p-4/t5-,6-,8-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).				J Med Chem 35: 1938-41 (1992) BindingDB Entry DOI: 10.7270/Q25B0336
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422244 (CHEMBL268339) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cnc(Br)cn1 Show InChI InChI=1S/C16H15BrN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-18-15(17)9-19-16/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	126	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422246 (CHEMBL6553) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cnc(Cl)cn1 Show InChI InChI=1S/C16H15ClN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-18-15(17)9-19-16/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	158	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422264 (CHEMBL6761) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Cl)nn1 Show InChI InChI=1S/C16H15ClN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-9-15(17)18-19-16/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422243 (CHEMBL6297) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Br)nn1 Show InChI InChI=1S/C16H15BrN4O2S/c1-21(2)13-7-3-6-12-11(13)5-4-8-14(12)24(22,23)20-16-10-9-15(17)18-19-16/h3-10H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422249 (CHEMBL266277) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Br)nc1 Show InChI InChI=1S/C17H16BrN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-12-9-10-17(18)19-11-12/h3-11,20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	251	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422233 (CHEMBL6624) Show SMILES COc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)nn1 Show InChI InChI=1S/C17H18N4O3S/c1-21(2)14-8-4-7-13-12(14)6-5-9-15(13)25(22,23)20-16-10-11-17(24-3)19-18-16/h4-11H,1-3H3,(H,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422265 (CHEMBL268116) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)cc1C Show InChI InChI=1S/C18H18BrN3O2S/c1-12-10-13(19)11-20-18(12)21-25(23,24)17-9-5-6-14-15(17)7-4-8-16(14)22(2)3/h4-11H,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	316	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422241 (CHEMBL415106) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1nnc(Cl)cc1C Show InChI InChI=1S/C17H17ClN4O2S/c1-11-10-16(18)19-20-17(11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	398	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422245 (CHEMBL6588) Show SMILES CCOc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C18H19BrN4O3S/c1-4-26-18-17(20-11-16(19)21-18)22-27(24,25)15-10-6-7-12-13(15)8-5-9-14(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	501	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422266 (CHEMBL7019) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cnc(Br)nc1 Show InChI InChI=1S/C16H15BrN4O2S/c1-21(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)20-11-9-18-16(17)19-10-11/h3-10,20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422263 (CHEMBL6382) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)nc1C Show InChI InChI=1S/C17H17BrN4O2S/c1-11-17(19-10-16(18)20-11)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	631	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422258 (CHEMBL6399) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cnccn1 Show InChI InChI=1S/C16H16N4O2S/c1-20(2)14-7-3-6-13-12(14)5-4-8-15(13)23(21,22)19-16-11-17-9-10-18-16/h3-11H,1-2H3,(H,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422261 (CHEMBL415292) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Cl)nc1 Show InChI InChI=1S/C17H16ClN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-12-9-10-17(18)19-11-12/h3-11,20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422253 (CHEMBL6583) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cnc(C)cn1 Show InChI InChI=1S/C17H18N4O2S/c1-12-10-19-17(11-18-12)20-24(22,23)16-9-5-6-13-14(16)7-4-8-15(13)21(2)3/h4-11H,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.26E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422240 (CHEMBL6411) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Br)cn1 Show InChI InChI=1S/C17H16BrN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422236 (CHEMBL6463) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(C)cn1 Show InChI InChI=1S/C18H19N3O2S/c1-13-10-11-18(19-12-13)20-24(22,23)17-9-5-6-14-15(17)7-4-8-16(14)21(2)3/h4-12H,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422262 (CHEMBL6433) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Cl)cn1 Show InChI InChI=1S/C16H15ClN4O2S/c1-21(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)20-16-18-9-11(17)10-19-16/h3-10H,1-2H3,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422256 (CHEMBL268387) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(C)nn1 Show InChI InChI=1S/C17H18N4O2S/c1-12-10-11-17(19-18-12)20-24(22,23)16-9-5-6-13-14(16)7-4-8-15(13)21(2)3/h4-11H,1-3H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.59E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422238 (CHEMBL6576) Show SMILES COc1nc(Br)cnc1NS(=O)(=O)c1cccc2ccccc12 Show InChI InChI=1S/C15H12BrN3O3S/c1-22-15-14(17-9-13(16)18-15)19-23(20,21)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,17,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422237 (CHEMBL266315) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Cl)cn1 Show InChI InChI=1S/C17H16ClN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422255 (CHEMBL6630) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)cn1 Show InChI InChI=1S/C16H15BrN4O2S/c1-21(2)14-7-3-6-13-12(14)5-4-8-15(13)24(22,23)20-16-18-9-11(17)10-19-16/h3-10H,1-2H3,(H,18,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422247 (CHEMBL6543) Show SMILES CCc1nc(Br)cnc1NS(=O)(=O)c1cccc2c(cccc12)N(C)C Show InChI InChI=1S/C18H19BrN4O2S/c1-4-14-18(20-11-17(19)21-14)22-26(24,25)16-10-6-7-12-13(16)8-5-9-15(12)23(2)3/h5-11H,4H2,1-3H3,(H,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.51E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422242 (CHEMBL6400) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Br)cc1 Show InChI InChI=1S/C18H17BrN2O2S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)24(22,23)20-14-11-9-13(19)10-12-14/h3-12,20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.16E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422232 (CHEMBL269237) Show SMILES CCOc1ccc(NS(=O)(=O)c2cccc3c(cccc23)N(C)C)nn1 Show InChI InChI=1S/C18H20N4O3S/c1-4-25-18-12-11-17(19-20-18)21-26(23,24)16-10-6-7-13-14(16)8-5-9-15(13)22(2)3/h5-12H,4H2,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.98E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422251 (CHEMBL6660) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1cc(C)c(Cl)nn1 Show InChI InChI=1S/C17H17ClN4O2S/c1-11-10-16(19-20-17(11)18)21-25(23,24)15-9-5-6-12-13(15)7-4-8-14(12)22(2)3/h4-10H,1-3H3,(H,19,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422259 (CHEMBL266684) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(I)cn1 Show InChI InChI=1S/C17H16IN3O2S/c1-21(2)15-7-3-6-14-13(15)5-4-8-16(14)24(22,23)20-17-10-9-12(18)11-19-17/h3-11H,1-2H3,(H,19,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422235 (CHEMBL6647) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncc(Br)[nH]c1=O Show InChI InChI=1S/C16H15BrN4O3S/c1-21(2)12-7-3-6-11-10(12)5-4-8-13(11)25(23,24)20-15-16(22)19-14(17)9-18-15/h3-9H,1-2H3,(H,18,20)(H,19,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.01E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422239 (CHEMBL6468) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ncccn1 Show InChI InChI=1S/C16H16N4O2S/c1-20(2)14-8-3-7-13-12(14)6-4-9-15(13)23(21,22)19-16-17-10-5-11-18-16/h3-11H,1-2H3,(H,17,18,19)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.31E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422252 (CHEMBL6778) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Cl)cc1 Show InChI InChI=1S/C18H17ClN2O2S/c1-21(2)17-7-3-6-16-15(17)5-4-8-18(16)24(22,23)20-14-11-9-13(19)10-12-14/h3-12,20H,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	7.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50019515 (CHEMBL3291062) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1cc(=O)n(C)c3cc(F)c(F)cc13)N2C(=O)c1noc(C)c1C |r,TLB:25:24:6.7.8:2.3,9:7:24:2.3| Show InChI InChI=1S/C23H24F2N4O3/c1-11-12(2)32-27-22(11)23(31)29-14-4-5-15(29)7-13(6-14)26-19-10-21(30)28(3)20-9-18(25)17(24)8-16(19)20/h8-10,13-15,26H,4-7H2,1-3H3/t13-,14+,15-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of adenosine A1 receptor (unknown origin)				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50019514 (CHEMBL3290772) Show SMILES Cn1ncc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3ccccc23)c1Cl Show InChI InChI=1S/C20H22ClN5O2/c1-24-17-6-4-3-5-14(17)16(11-18(24)27)23-13-7-9-26(10-8-13)20(28)15-12-22-25(2)19(15)21/h3-6,11-13,23H,7-10H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of adenosine A1 receptor (unknown origin)				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50019516 (CHEMBL3291063) Show SMILES [H][C@]12CC[C@]([H])(C[C@@H](C1)Nc1n[nH]c3ccc(F)cc13)N2C(=O)c1cnn(C)c1Cl |r,TLB:21:20:2.3:7.6.8,9:7:20:2.3| Show InChI InChI=1S/C19H20ClFN6O/c1-26-17(20)15(9-22-26)19(28)27-12-3-4-13(27)8-11(7-12)23-18-14-6-10(21)2-5-16(14)24-25-18/h2,5-6,9,11-13H,3-4,7-8H2,1H3,(H2,23,24,25)/t11-,12+,13-	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of adenosine A1 receptor (unknown origin)				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50019519 (CHEMBL3291056) Show SMILES Cc1onc(C(=O)N2CCC(CC2)Nc2cc(=O)n(C)c3cc(F)c(F)cc23)c1C Show InChI InChI=1S/C21H22F2N4O3/c1-11-12(2)30-25-20(11)21(29)27-6-4-13(5-7-27)24-17-10-19(28)26(3)18-9-16(23)15(22)8-14(17)18/h8-10,13,24H,4-7H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
AstraZeneca Curated by ChEMBL					Assay Description Inhibition of adenosine A1 receptor (unknown origin)				J Med Chem 57: 5419-34 (2014) Article DOI: 10.1021/jm5005978 BindingDB Entry DOI: 10.7270/Q25Q4XNM
					More data for this Ligand-Target Pair
Reverse transcriptase/RNaseH (Human immunodeficiency virus 1)	BDBM50002468 (TMPNPPthymidine 5'-[alpha,beta-imido]triphosphate) Show SMILES Cc1cn([C@H]2C[C@@H](O)[C@@H](OP([O-])(=O)NP([O-])(=O)OP([O-])([O-])=O)O2)c(=O)[nH]c1=O Show InChI InChI=1S/C9H16N3O13P3/c1-4-3-12(9(15)10-7(4)14)6-2-5(13)8(23-6)24-26(16,17)11-27(18,19)25-28(20,21)22/h3,5-6,8,13H,2H2,1H3,(H,10,14,15)(H2,20,21,22)(H3,11,16,17,18,19)/p-4/t5-,6-,8-/m1/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibitory activity against human immunodeficiency virus-1 reverse transcriptase(HIV-1 RT).				J Med Chem 35: 1938-41 (1992) BindingDB Entry DOI: 10.7270/Q25B0336
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50422260 (CHEMBL6566) Show SMILES CN(C)c1cccc2c(cccc12)S(=O)(=O)Nc1ccc(Br)c(C)n1 Show InChI InChI=1S/C18H18BrN3O2S/c1-12-15(19)10-11-18(20-12)21-25(23,24)17-9-5-6-13-14(17)7-4-8-16(13)22(2)3/h4-11H,1-3H3,(H,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
ZENECA Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of specific binding of [125-I]ET-1 to human endothelin A receptor				J Med Chem 40: 996-1004 (1997) Article DOI: 10.1021/jm9604585 BindingDB Entry DOI: 10.7270/Q25H7HKT
					More data for this Ligand-Target Pair

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