Compile Data Set for Download or QSAR

Found 776 hits with Last Name = 'hill' and Initial = 'sj'   

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
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM81541 (CAS_195530 | NSC_195530 | S-Beta-Dimethylhistamine...) Show SMILES CC(N)C(C)c1cnc[nH]1 Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.0300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Queen's Medical Centre Curated by PDSP Ki Database									Biochem Soc Trans 20: 122-5 (1992) Article DOI: 10.1042/bst0200122 BindingDB Entry DOI: 10.7270/Q2RX99KH
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM112780 (US8629135, SW-07) Show SMILES CN(C)CC\C=C1/c2ccccc2COc2ccccc12 Show InChI InChI=1S/C19H21NO/c1-20(2)13-7-11-17-16-9-4-3-8-15(16)14-21-19-12-6-5-10-18(17)19/h3-6,8-12H,7,13-14H2,1-2H3/b17-11+	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE KEGG PC cid PC sid PDB UniChem Similars	Article PubMed	0.178	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00125 BindingDB Entry DOI: 10.7270/Q29W0KK1
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM81543 (Alpha-Dimethylhistane-alpha | CAS_195960 | NSC_195...) Show SMILES CNC(C)Cc1cnc[nH]1 Show InChI InChI=1S/C7H13N3/c1-6(8-2)3-7-4-9-5-10-7/h4-6,8H,3H2,1-2H3,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Queen's Medical Centre Curated by PDSP Ki Database									Biochem Soc Trans 20: 122-5 (1992) Article DOI: 10.1042/bst0200122 BindingDB Entry DOI: 10.7270/Q2RX99KH
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM81541 (CAS_195530 | NSC_195530 | S-Beta-Dimethylhistamine...) Show SMILES CC(N)C(C)c1cnc[nH]1 Show InChI InChI=1S/C7H13N3/c1-5(6(2)8)7-3-9-4-10-7/h3-6H,8H2,1-2H3,(H,9,10)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Queen's Medical Centre Curated by PDSP Ki Database									Biochem Soc Trans 20: 122-5 (1992) Article DOI: 10.1042/bst0200122 BindingDB Entry DOI: 10.7270/Q2RX99KH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50583640 (CHEMBL5075285) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |c:66,68,t:63| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.288	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cells by radioligand competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50094037 (2-Furan-2-yl-7-[3-(4-methoxy-phenyl)-propyl]-7H-py...) Show SMILES COc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C20H19N7O2/c1-28-14-8-6-13(7-9-14)4-2-10-26-18-15(12-22-26)19-23-17(16-5-3-11-29-16)25-27(19)20(21)24-18/h3,5-9,11-12H,2,4,10H2,1H3,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A2A receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581950 (CHEMBL4204703) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Queen's Medical Centre Curated by PDSP Ki Database									Biochem Soc Trans 20: 122-5 (1992) Article DOI: 10.1042/bst0200122 BindingDB Entry DOI: 10.7270/Q2RX99KH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581950 (CHEMBL4204703) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581950 (CHEMBL4204703) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.562	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581957 (CHEMBL5080823) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581964 (CHEMBL5092788) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCC#C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581950 (CHEMBL4204703) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50583641 (CHEMBL5086197) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)CCCCC[N+]1=C(\C=C\C=C\C=C2\N(C)c3ccc(cc3C2(C)C)S(O)(=O)=O)C(C)(C)c2cc(ccc12)S([O-])(=O)=O |c:52| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.708	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NanoLuc human A1 adenosine receptor expressed in HEK293-A cells in prescence of SLV320 by NanoBRET competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
					More data for this Ligand-Target Pair
Histamine H1 receptor (Cavia porcellus (domestic guinea pig))	BDBM81542 (Beta-Methylhistamine | CAS_565544 | NSC_565544) Show SMILES CC(CN)c1cnc[nH]1 Show InChI InChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Queen's Medical Centre Curated by PDSP Ki Database									Biochem Soc Trans 20: 122-5 (1992) Article DOI: 10.1042/bst0200122 BindingDB Entry DOI: 10.7270/Q2RX99KH
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM81542 (Beta-Methylhistamine | CAS_565544 | NSC_565544) Show SMILES CC(CN)c1cnc[nH]1 Show InChI InChI=1S/C6H11N3/c1-5(2-7)6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Queen's Medical Centre Curated by PDSP Ki Database									Biochem Soc Trans 20: 122-5 (1992) Article DOI: 10.1042/bst0200122 BindingDB Entry DOI: 10.7270/Q2RX99KH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581950 (CHEMBL4204703) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in CHO-K1 cells by radioligand binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
					More data for this Ligand-Target Pair
Histamine H2 receptor (Cavia porcellus (domestic guinea pig))	BDBM22904 ((2R)-1-(1H-imidazol-5-yl)propan-2-amine | (R)-alph...) Show SMILES C[C@@H](N)Cc1cnc[nH]1 |r| Show InChI InChI=1S/C6H11N3/c1-5(7)2-6-3-8-4-9-6/h3-5H,2,7H2,1H3,(H,8,9)/t5-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Queen's Medical Centre Curated by PDSP Ki Database									Biochem Soc Trans 20: 122-5 (1992) Article DOI: 10.1042/bst0200122 BindingDB Entry DOI: 10.7270/Q2RX99KH
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50268232 (8-(4-(4-(4-Chlorophenyl)piperazine-1-sulfonyl)phen...) Show SMILES CCCn1c(=O)[nH]c2nc([nH]c2c1=O)-c1ccc(cc1)S(=O)(=O)N1CCN(CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C24H25ClN6O4S/c1-2-11-31-23(32)20-22(28-24(31)33)27-21(26-20)16-3-9-19(10-4-16)36(34,35)30-14-12-29(13-15-30)18-7-5-17(25)6-8-18/h3-10H,2,11-15H2,1H3,(H,26,27)(H,28,33)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A2B receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50583644 (CHEMBL5080679) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)C(=O)NCCNC(=O)CCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)c2nc([nH]c2c1=O)C12CC3CC(CC(C3)C1)C2 |c:52,54,t:49,TLB:79:80:77.78.83:84,THB:81:80:77:83.82.84,81:82:77:85.79.80,79:78:84:85.80.81| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to NanoLuc human A1 adenosine receptor expressed in HEK293-A cells in prescence of SLV320 by NanoBRET competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581960 (CHEMBL5074992) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581964 (CHEMBL5092788) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCC#C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581964 (CHEMBL5092788) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCC#C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581950 (CHEMBL4204703) Show SMILES O[C@H]1CC[C@@H](CC1)Nc1nc(nc2[nH]ccc12)-c1ccccc1 |r,wU:4.7,wD:1.0,(5.09,-4.45,;6.42,-5.22,;6.43,-6.76,;7.77,-7.53,;9.09,-6.74,;9.09,-5.21,;7.76,-4.45,;10.43,-7.5,;10.44,-9.04,;9.12,-9.82,;9.13,-11.35,;10.47,-12.12,;11.8,-11.34,;13.26,-11.81,;14.16,-10.57,;13.25,-9.33,;11.79,-9.81,;7.8,-12.13,;6.47,-11.36,;5.14,-12.13,;5.14,-13.68,;6.47,-14.45,;7.81,-13.68,)| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	1.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cells by radioligand competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581961 (CHEMBL5088372) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCOCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581959 (CHEMBL5076192) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCCCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581957 (CHEMBL5080823) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50581959 (CHEMBL5076192) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCCCCCN=[N+]=[N-] Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581961 (CHEMBL5088372) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCOCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581954 (CHEMBL5087305) Show SMILES CCCCn1c(=O)n(CCC)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581957 (CHEMBL5080823) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581957 (CHEMBL5080823) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581960 (CHEMBL5074992) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581959 (CHEMBL5076192) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCCCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581959 (CHEMBL5076192) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCCCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581964 (CHEMBL5092788) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCC#C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581958 (CHEMBL5089483) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Histamine H1 receptor (Homo sapiens (Human))	BDBM50606429 (CHEMBL5175488) Show SMILES C[C@@H](NC(=O)CCN1CCC(CC1)Oc1ccccc1Cc1ccccc1)C(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NCCNC(=O)CCCCCNC(=O)COc1ccc(\C=C\C2=[N+]3C(C=C2)=Cc2ccc(-c4cccs4)n2[B-]3(F)F)cc1 |r,c:67,69,t:64| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00125 BindingDB Entry DOI: 10.7270/Q29W0KK1
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50581955 (CHEMBL5073669) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50583628 (CHEMBL5086635) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CCC(CC1)(CC2)C(=O)NCCNC(=O)CCNC(=O)CCNC(=O)OC(C)(C)C Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cells by radioligand competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50581958 (CHEMBL5089483) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCN=[N+]=[N-] Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581961 (CHEMBL5088372) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCOCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50053929 (CHEMBL88147 | N-(9-Chloro-2-furan-2-yl-[1,2,4]tria...) Show SMILES Clc1ccc2nc(NC(=O)Cc3ccccc3)n3nc(nc3c2c1)-c1ccco1 Show InChI InChI=1S/C21H14ClN5O2/c22-14-8-9-16-15(12-14)20-25-19(17-7-4-10-29-17)26-27(20)21(23-16)24-18(28)11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,23,24,28)	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A3 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of NECA-induced cAMP accumulation in ...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581961 (CHEMBL5088372) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCOCCOCCOCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581958 (CHEMBL5089483) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(F)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine A1 receptor expressed in Flp-In-CHO cell membrane assessed as inhibition of forskolin-stimulated cAMP accumula...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581954 (CHEMBL5087305) Show SMILES CCCCn1c(=O)n(CCC)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581954 (CHEMBL5087305) Show SMILES CCCCn1c(=O)n(CCC)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H] DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cell membrane incubated for 4 hrs by microbeta scintillation coun...				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50583642 (CHEMBL5080416) Show SMILES CCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)C(=O)NCCNC(=O)CCCCCNC(=O)COc2ccc(\C=C\C3=[N+]4C(C=C3)=Cc3ccc(-c5cccs5)n3[B-]4(F)F)cc2)c2nc([nH]c2c1=O)C12CC3CC(CC(C3)C1)C2 |c:47,49,t:44,TLB:74:75:72.73.78:79,THB:76:75:72:78.77.79,76:77:72:80.74.75,74:73:79:80.75.76| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from human A1 adenosine receptor expressed in Flp-In-CHO cells by radioligand competitive binding assay				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02067 BindingDB Entry DOI: 10.7270/Q2CV4NM3
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50581956 (CHEMBL5085088) Show SMILES CCCCn1c(=O)n(CCCNC(=O)c2ccc(cc2)S(O)(=O)=O)c2[nH]c(nc2c1=O)C12CCC(CC1)(CC2)C(=O)NCCCN=[N+]=[N-] Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Binding affinity to human Adenosine A1 receptor expressed in Flp-In-CHO cell membrane by microbeta scintillation counting method				Citation and Details Article DOI: 10.1021/acs.jmedchem.0c02169 BindingDB Entry DOI: 10.7270/Q23200R3
					More data for this Ligand-Target Pair

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