Compile Data Set for Download or QSAR

Found 6 hits of kd data for polymerid = 5768   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50023398 ((4-{3-[2-(4-Amino-3-iodo-phenyl)-ethyl]-2,6-dioxo-...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C24H24IN5O5/c1-2-10-30-23(33)20-22(29(24(30)34)11-9-14-3-8-18(26)17(25)12-14)28-21(27-20)15-4-6-16(7-5-15)35-13-19(31)32/h3-8,12H,2,9-11,13,26H2,1H3,(H,27,28)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat brain membrane(KD)				J Med Chem 31: 752-6 (1988) Article DOI: 10.1021/jm00399a011 BindingDB Entry DOI: 10.7270/Q28916FW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM82558 (CAS_163889 | CHEMBL355370 | I-ABOPX | NSC_163889) Show SMILES CCCn1c(=O)n(Cc2ccc(N)c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C23H22IN5O5/c1-2-9-28-22(32)19-21(29(23(28)33)11-13-3-8-17(25)16(24)10-13)27-20(26-19)14-4-6-15(7-5-14)34-12-18(30)31/h3-8,10H,2,9,11-12,25H2,1H3,(H,26,27)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat brain membrane(KD)				J Med Chem 31: 752-6 (1988) Article DOI: 10.1021/jm00399a011 BindingDB Entry DOI: 10.7270/Q28916FW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50023395 ((4-{3-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-...) Show SMILES CCCn1c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C24H22IN7O5/c1-2-10-32-23(35)20-22(28-21(27-20)15-4-6-16(7-5-15)37-13-19(33)34)31(24(32)36)11-9-14-3-8-18(29-30-26)17(25)12-14/h3-8,12H,2,9-11,13H2,1H3,(H,27,28)(H,33,34)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity towards adenosine A1 receptor in rat brain membrane(KD)				J Med Chem 31: 752-6 (1988) Article DOI: 10.1021/jm00399a011 BindingDB Entry DOI: 10.7270/Q28916FW
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50009552 (2-[6-Amino-2-(2-morpholin-4-yl-ethylamino)-purin-9...) Show SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NC3CCCCC3)ncnc12 Show InChI InChI=1/C16H23N5O4/c22-6-10-12(23)13(24)16(25-10)21-8-19-11-14(17-7-18-15(11)21)20-9-4-2-1-3-5-9/h7-10,12-13,16,22-24H,1-6H2,(H,17,18,20)/t10-,12-,13-,16-/s2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a
Georgia Institute of Technology Curated by ChEMBL					Assay Description Displacement of [3H] CGS 21680 from rat hippocampus adenosine A1 receptor				J Med Chem 59: 788-809 (2016) Article DOI: 10.1021/acs.jmedchem.5b00828 BindingDB Entry DOI: 10.7270/Q25M67MM
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50040787 (CHEMBL3137809 | Sodium salt of 4,5,8-trisulphurica...) Show SMILES [Na+].[Na+].[Na+].CC(CCC(C)C(C)(C)C)C1CC[C@H]2[C@@H]3C[C@H](OS([O-])(=O)=O)C4C[C@H](OS([O-])(=O)=O)[C@H](CC4(C)[C@H]3CCC12C)OS([O-])(=O)=O Show InChI InChI=1S/C29H52O12S3.3Na/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6;;;/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/t17?,18?,19-,20?,21-,22-,23?,24-,25-,26-,28?,29?;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kd value for adenosine A1 receptor binding at 14.5 uM				Bioorg Med Chem Lett 2: 1631-1634 (1992) Article DOI: 10.1016/S0960-894X(00)80445-X BindingDB Entry DOI: 10.7270/Q2Z60P0N
					More data for this Ligand-Target Pair
Adenosine receptor (Rattus norvegicus (rat))	BDBM50040787 (CHEMBL3137809 | Sodium salt of 4,5,8-trisulphurica...) Show SMILES [Na+].[Na+].[Na+].CC(CCC(C)C(C)(C)C)C1CC[C@H]2[C@@H]3C[C@H](OS([O-])(=O)=O)C4C[C@H](OS([O-])(=O)=O)[C@H](CC4(C)[C@H]3CCC12C)OS([O-])(=O)=O Show InChI InChI=1S/C29H52O12S3.3Na/c1-17(8-9-18(2)27(3,4)5)20-10-11-21-19-14-24(39-42(30,31)32)23-15-25(40-43(33,34)35)26(41-44(36,37)38)16-29(23,7)22(19)12-13-28(20,21)6;;;/h17-26H,8-16H2,1-7H3,(H,30,31,32)(H,33,34,35)(H,36,37,38);;;/q;3*+1/p-3/t17?,18?,19-,20?,21-,22-,23?,24-,25-,26-,28?,29?;;;/m0.../s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Kd value for adenosine A1 receptor binding at 145 uM				Bioorg Med Chem Lett 2: 1631-1634 (1992) Article DOI: 10.1016/S0960-894X(00)80445-X BindingDB Entry DOI: 10.7270/Q2Z60P0N
					More data for this Ligand-Target Pair