Compile Data Set for Download or QSAR

Found 14 hits of kd for UniProtKB: P28190   

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 (BOVINE)	BDBM50008405 (2-(4-(2,6-dioxo-1,3-dipropyl-2,3,6,7-tetrahydro-1H...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C19H22N4O5/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)27)20-16(21-17)12-5-7-13(8-6-12)28-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor as inhibition of [125-I]-labeled aminobenzyl adenosine binding to bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	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 AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	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 AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50023392 (CHEMBL349519 | {4-[3-(4-Amino-benzyl)-2,6-dioxo-1-...) Show SMILES CCCn1c(=O)n(Cc2ccc(N)cc2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C23H23N5O5/c1-2-11-27-22(31)19-21(28(23(27)32)12-14-3-7-16(24)8-4-14)26-20(25-19)15-5-9-17(10-6-15)33-13-18(29)30/h3-10H,2,11-13,24H2,1H3,(H,25,26)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	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 AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	37	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50023390 (CHEMBL163574 | {4-[1-(4-Amino-benzyl)-2,6-dioxo-3-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C23H23N5O5/c1-2-11-27-21-19(22(31)28(23(27)32)12-14-3-7-16(24)8-4-14)25-20(26-21)15-5-9-17(10-6-15)33-13-18(29)30/h3-10H,2,11-13,24H2,1H3,(H,25,26)(H,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	44	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50023399 (CHEMBL162658 | {4-[3-(4-Azido-3-iodo-benzyl)-2,6-d...) Show SMILES CCCn1c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c2nc([nH]c2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C23H20IN7O5/c1-2-9-30-22(34)19-21(27-20(26-19)14-4-6-15(7-5-14)36-12-18(32)33)31(23(30)35)11-13-3-8-17(28-29-25)16(24)10-13/h3-8,10H,2,9,11-12H2,1H3,(H,26,27)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	55	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor using [125-I]-labeled aminobenzyl adenosine in bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50023396 ((4-{3-[2-(4-Amino-phenyl)-ethyl]-2,6-dioxo-1-propy...) Show SMILES CCCn1c(=O)n(CCc2ccc(N)cc2)c2[nH]c(nc2c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C24H25N5O5/c1-2-12-29-23(32)20-22(28(24(29)33)13-11-15-3-7-17(25)8-4-15)27-21(26-20)16-5-9-18(10-6-16)34-14-19(30)31/h3-10H,2,11-14,25H2,1H3,(H,26,27)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50023391 (CHEMBL162814 | {4-[1-(4-Amino-3-iodo-benzyl)-2,6-d...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C23H22IN5O5/c1-2-9-28-21-19(22(32)29(23(28)33)11-13-3-8-17(25)16(24)10-13)26-20(27-21)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 AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	160	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50023397 (CHEMBL162558 | {4-[1-(4-Azido-3-iodo-benzyl)-2,6-d...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(Cc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C23H20IN7O5/c1-2-9-30-21-19(26-20(27-21)14-4-6-15(7-5-14)36-12-18(32)33)22(34)31(23(30)35)11-13-3-8-17(28-29-25)16(24)10-13/h3-8,10H,2,9,11-12H2,1H3,(H,26,27)(H,32,33)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	960	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor as inhibition of [125-I]-labeled aminobenzyl adenosine binding to bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50023401 ((4-{1-[2-(4-Amino-phenyl)-ethyl]-2,6-dioxo-3-propy...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)cc2)c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C24H25N5O5/c1-2-12-28-22-20(23(32)29(24(28)33)13-11-15-3-7-17(25)8-4-15)26-21(27-22)16-5-9-18(10-6-16)34-14-19(30)31/h3-10H,2,11-14,25H2,1H3,(H,26,27)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50023394 ((4-{1-[2-(4-Azido-3-iodo-phenyl)-ethyl]-2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N=[N+]=[N-])c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C24H22IN7O5/c1-2-10-31-22-20(27-21(28-22)15-4-6-16(7-5-15)37-13-19(33)34)23(35)32(24(31)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 AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	2.86E+3	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Binding affinity for adenosine A1 receptor as inhibition of [125-I]-labeled aminobenzyl adenosine binding to bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50023402 ((4-{1-[2-(4-Amino-3-iodo-phenyl)-ethyl]-2,6-dioxo-...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCc2ccc(N)c(I)c2)c1=O)-c1ccc(OCC(O)=O)cc1 Show InChI InChI=1S/C24H24IN5O5/c1-2-10-29-22-20(27-21(28-22)15-4-6-16(7-5-15)35-13-19(31)32)23(33)30(24(29)34)11-9-14-3-8-18(26)17(25)12-14/h3-8,12H,2,9-11,13,26H2,1H3,(H,27,28)(H,31,32)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.10E+3	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair
Adenosine receptor A1 (BOVINE)	BDBM50023400 ((4-{1,3-Bis-[2-(4-amino-phenyl)-ethyl]-2,6-dioxo-2...) Show SMILES Nc1ccc(CCn2c3[nH]c(nc3c(=O)n(CCc3ccc(N)cc3)c2=O)-c2ccc(OCC(O)=O)cc2)cc1 Show InChI InChI=1S/C29H28N6O5/c30-21-7-1-18(2-8-21)13-15-34-27-25(28(38)35(29(34)39)16-14-19-3-9-22(31)10-4-19)32-26(33-27)20-5-11-23(12-6-20)40-17-24(36)37/h1-12H,13-17,30-31H2,(H,32,33)(H,36,37)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	3.59E+3	n/a	n/a	n/a	n/a	n/a
University of Virginia School of Medicine Curated by ChEMBL					Assay Description Displacement of [125-I]-labeled aminobenzyl adenosine binding to adenosine A1 receptor of bovine brain membranes				J Med Chem 31: 745-51 (1988) BindingDB Entry DOI: 10.7270/Q2D21Z57
					More data for this Ligand-Target Pair