Compile Data Set for Download or QSAR

Found 329 hits with Last Name = 'chong' and Initial = 'w'   

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 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))	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))	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
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))	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))	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 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))	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))	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	PDB 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))	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
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 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	PDB 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 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	PDB 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 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)	PDB 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))	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))	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
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	6	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	6.10	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))	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	6.5	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 adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...				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	6.5	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 adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...				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 A2b (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 NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.70	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))	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	6.70	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))	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	6.80	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	7.80	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 adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...				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	7.80	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 adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...				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	8.10	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))	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	8.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Antagonist activity at human adenosine 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
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10884 ((2S,4S)-4-(ethylamino)-2-methyl-1,1-dioxo-2H,3H,4H...) Show SMILES CCN[C@H]1C[C@H](C)S(=O)(=O)c2sc(cc12)S(N)(=O)=O |r| Show InChI InChI=1S/C10H16N2O4S3/c1-3-12-8-4-6(2)18(13,14)10-7(8)5-9(17-10)19(11,15)16/h5-6,8,12H,3-4H2,1-2H3,(H2,11,15,16)/t6-,8-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank PDB Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NicOx Research Institute Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 by CO2 hydrase stopped flow assay				Bioorg Med Chem Lett 19: 6565-70 (2009) Article DOI: 10.1016/j.bmcl.2009.10.036 BindingDB Entry DOI: 10.7270/Q2X92C80
					More data for this Ligand-Target Pair				3D Structure (crystal)
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	9.30	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 adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...				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	9.30	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 adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...				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	10	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))	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	10	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 adenosine A1 receptor expressed in Flp-In-CHO cell membrane incubated for 3 hrs followed by compound washout an...				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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