Compile Data Set for Download or QSAR

Found 1251 hits with Last Name = 'abdelrahman' and Initial = 'a'   

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))	BDBM50550812 (CHEMBL4756283) Show SMILES CCCn1c2ncn(NC(N)=O)c(=N)c2sc1=S Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50493145 (CHEMBL2419149) Show SMILES Brc1ccc(\C=N\c2c(sc(=S)n2-c2ccccc2)C#N)cc1 Show InChI InChI=1S/C17H10BrN3S2/c18-13-8-6-12(7-9-13)11-20-16-15(10-19)23-17(22)21(16)14-4-2-1-3-5-14/h1-9,11H/b20-11+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.00420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527134 (CHEMBL4471306 | US20230295213, Compound a) Show SMILES C[C@H](Nc1cc(Cl)nc2n(ncc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O)c1ccccc1F |r| Show InChI InChI=1S/C20H24ClFN4O9P2/c1-10(11-4-2-3-5-13(11)22)24-14-6-16(21)25-19-12(14)7-23-26(19)20-18(28)17(27)15(35-20)8-34-37(32,33)9-36(29,30)31/h2-7,10,15,17-18,20,27-28H,8-9H2,1H3,(H,24,25)(H,32,33)(H2,29,30,31)/t10-,15+,17+,18+,20+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human CD73				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550819 (CHEMBL4796077) Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0628	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from rat adenosine receptor A1 by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550824 (CHEMBL4797181) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.0709	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from rat adenosine receptor A1 by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550832 (CHEMBL4764086) Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0867	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from rat adenosine receptor A1 by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550813 (CHEMBL1316674) Show SMILES CCCCn1c(=O)n(CCCO)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,THB:22:23:26:20.21.27,24:23:20:26.25.27,24:25:20:23.22| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	0.124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50003019 (8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	0.190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527135 (CHEMBL4452072) Show SMILES CN(Cc1ccccc1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.318	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of human CD73				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550819 (CHEMBL4796077) Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from rat adenosine receptor A1 by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550819 (CHEMBL4796077) Show SMILES Cc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.348	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50315539 (8-(2-Thioxo-7(3-propyl)-2-(2-furyl)thiazolo[4,3-e]...) Show SMILES CCCn1c2ncn3nc(nc3c2sc1=S)-c1ccco1 Show InChI InChI=1S/C13H11N5OS2/c1-2-5-17-11-9(21-13(17)20)12-15-10(8-4-3-6-19-8)16-18(12)7-14-11/h3-4,6-7H,2,5H2,1H3	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.380	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50308505 (CHEMBL589080 | N-[5-pyridin-4-yl-4-(3,4,5-trimetho...) Show SMILES COc1cc(cc(OC)c1OC)-c1nc(NC(C)=O)sc1-c1ccncc1 Show InChI InChI=1S/C19H19N3O4S/c1-11(23)21-19-22-16(18(27-19)12-5-7-20-8-6-12)13-9-14(24-2)17(26-4)15(10-13)25-3/h5-10H,1-4H3,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348176 (CHEMBL1562432) Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1cc(Cl)cc(Cl)c1Cl Show InChI InChI=1S/C16H14Cl3N5O/c1-3-8-6-24-15(20-8)12-14(23(2)16(24)25)22-13(21-12)9-4-7(17)5-10(18)11(9)19/h4-5,8,20H,3,6H2,1-2H3/t8-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.441	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50364063 (CHEMBL1950649) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)nc(nc12)C#CC[C@H]1CC[C@@H](CC1)C(=O)OC |r,wU:7.12,5.4,28.34,wD:8.8,10.11,25.27,(-2.37,-48.53,;-1.04,-49.31,;.3,-48.55,;1.62,-49.33,;1.61,-50.87,;2.93,-48.59,;2.94,-47.1,;4.43,-46.64,;5.27,-47.83,;6.72,-47.84,;4.37,-49.06,;4.85,-50.53,;4.89,-45.21,;3.96,-43.88,;4.91,-42.6,;6.23,-43.05,;7.53,-42.29,;7.52,-40.78,;8.97,-43.12,;8.97,-44.75,;7.59,-45.54,;6.24,-44.75,;10.31,-45.52,;11.64,-46.29,;12.97,-47.06,;14.3,-46.29,;15.63,-47.07,;16.96,-46.31,;16.97,-44.77,;15.64,-43.99,;14.3,-44.76,;18.31,-44,;18.32,-42.46,;19.64,-44.78,;20.98,-44.02,)| Show InChI InChI=1S/C23H30N6O6/c1-3-25-21(32)18-16(30)17(31)22(35-18)29-11-26-15-19(24)27-14(28-20(15)29)6-4-5-12-7-9-13(10-8-12)23(33)34-2/h11-13,16-18,22,30-31H,3,5,7-10H2,1-2H3,(H,25,32)(H2,24,27,28)/t12-,13-,16-,17+,18-,22+/m0/s1	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	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2A receptor				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550824 (CHEMBL4797181) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.529	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from rat adenosine receptor A1 by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550824 (CHEMBL4797181) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(C)cc1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	0.529	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50492052 (CHEMBL2391834) Show SMILES O=C(Nc1nc(c(s1)-c1ccncc1)-c1ccccc1)c1ccco1 Show InChI InChI=1S/C19H13N3O2S/c23-18(15-7-4-12-24-15)22-19-21-16(13-5-2-1-3-6-13)17(25-19)14-8-10-20-11-9-14/h1-12H,(H,21,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.580	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50003019 (8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipro...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C12CC3CC1CC(C2)C3 |THB:22:21:18:24.23.25,22:23:18:21.20| Show InChI InChI=1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank PC cid PC sid UniChem Patents Similars	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50550813 (CHEMBL1316674) Show SMILES CCCCn1c(=O)n(CCCO)c2nc([nH]c2c1=O)C12CC3CC1CC(C2)C3 |TLB:22:21:26:23.24,THB:22:23:26:20.21.27,24:23:20:26.25.27,24:25:20:23.22| Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Rattus norvegicus (Rat))	BDBM50527135 (CHEMBL4452072) Show SMILES CN(Cc1ccccc1)c1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C19H24ClN5O9P2/c1-24(7-11-5-3-2-4-6-11)16-13-17(23-19(20)22-16)25(9-21-13)18-15(27)14(26)12(34-18)8-33-36(31,32)10-35(28,29)30/h2-6,9,12,14-15,18,26-27H,7-8,10H2,1H3,(H,31,32)(H2,28,29,30)/t12-,14-,15-,18-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	0.746	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of rat CD73				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550832 (CHEMBL4764086) Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.939	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from rat adenosine receptor A1 by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550832 (CHEMBL4764086) Show SMILES Clc1ccc(cc1)C(=O)c1sc(NC(=O)c2ccccc2)nc1-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.939	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550826 (CHEMBL4795542) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(Cl)cc1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	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]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550827 (CHEMBL4755914) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccccc1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE 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]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550825 (CHEMBL4790122) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)C(=O)c1ccc(OC)cc1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513670 (CHEMBL4526109) Show SMILES CN1CCN(CC1)c1ccc(cc1)C(\C)=N\Nc1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C19H25N5O2S/c1-15(21-22-17-5-9-19(10-6-17)27(20,25)26)16-3-7-18(8-4-16)24-13-11-23(2)12-14-24/h3-10,22H,11-14H2,1-2H3,(H2,20,25,26)/b21-15+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay				Eur J Med Chem 179: 547-556 (2019) Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50348174 (CHEMBL1625681) Show SMILES CC[C@@H]1Cn2c(N1)c1nc(nc1n(C)c2=O)-c1ccccc1 Show InChI InChI=1S/C16H17N5O/c1-3-11-9-21-15(17-11)12-14(20(2)16(21)22)19-13(18-12)10-7-5-4-6-8-10/h4-8,11,17H,3,9H2,1-2H3/t11-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Homo sapiens (Human))	BDBM50550812 (CHEMBL4756283) Show SMILES CCCn1c2ncn(NC(N)=O)c(=N)c2sc1=S 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 Displacement of [3H]CCPA from human adenosine receptor A1 expressed in CHO cell membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50492052 (CHEMBL2391834) Show SMILES O=C(Nc1nc(c(s1)-c1ccncc1)-c1ccccc1)c1ccco1 Show InChI InChI=1S/C19H13N3O2S/c23-18(15-7-4-12-24-15)22-19-21-16(13-5-2-1-3-6-13)17(25-19)14-8-10-20-11-9-14/h1-12H,(H,21,22,23)	PDB NCI pathway 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 Displacement of [3H]PSB-603 from human adenosine receptor A2B expressed in CHO cell membranes incubated for 75 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550834 (CHEMBL4784975) Show SMILES Fc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Displacement of [3H]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550834 (CHEMBL4784975) Show SMILES Fc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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 Displacement of [3H]CCPA from rat adenosine receptor A1 by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550834 (CHEMBL4784975) Show SMILES Fc1ccc(C(=O)c2sc(NC(=O)c3ccccc3)nc2-c2ccccc2)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]DPCPX from rat adenosine receptor A1 by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513665 (CHEMBL4454770) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCCC1 Show InChI InChI=1S/C18H20N4O3S/c19-26(24,25)17-9-5-15(6-10-17)18(23)21-20-13-14-3-7-16(8-4-14)22-11-1-2-12-22/h3-10,13H,1-2,11-12H2,(H,21,23)(H2,19,24,25)/b20-13+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay				Eur J Med Chem 179: 547-556 (2019) Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513662 (CHEMBL4451809) Show SMILES NS(=O)(=O)c1ccc(cc1)C(=O)N\N=C\c1ccc(cc1)N1CCCCC1 Show InChI InChI=1S/C19H22N4O3S/c20-27(25,26)18-10-6-16(7-11-18)19(24)22-21-14-15-4-8-17(9-5-15)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2,(H,22,24)(H2,20,25,26)/b21-14+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay				Eur J Med Chem 179: 547-556 (2019) Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527131 (CHEMBL4585872) Show SMILES Nc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16IN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt 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
University of Bonn Curated by ChEMBL					Assay Description Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting method				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550833 (CHEMBL4779033) Show SMILES O=C(Nc1nc(c(s1)-c1ccccn1)-c1ccccc1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527131 (CHEMBL4585872) Show SMILES Nc1nc(I)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16IN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair
5'-nucleotidase (Homo sapiens (Human))	BDBM50527138 (CHEMBL4475460) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16ClN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Bonn Curated by ChEMBL					Assay Description Inhibition of native CD73 in human MDA-MB-231 cell membrane preparations [3H]AMP as substrate incubated for 25 mins by scintillation counting method				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50550820 (CHEMBL4746936) Show SMILES COc1ccc(cc1)C(=O)Nc1nc(c(s1)-c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)-c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	4.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [3H]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]CCPA from adenosine A1 receptor in rat brain cortex				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50513674 (CHEMBL4458485) Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 9 expressed in Escherichia coli by stopped flow CO2 hydration assay				Eur J Med Chem 179: 547-556 (2019) Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay				Eur J Med Chem 179: 547-556 (2019) Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM10880 (AZA | AZA2 | AZM acetazolamide | Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI InChI=1S/C4H6N4O3S2/c1-2(9)6-3-7-8-4(12-3)13(5,10)11/h1H3,(H2,5,10,11)(H,6,7,9)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	5.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of human CA12 preincubated for 15 mins by phenol red dye based stopped flow CO2 hydration assay				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112897 BindingDB Entry DOI: 10.7270/Q2183B6N
					More data for this Ligand-Target Pair				3D Structure (crystal)
5'-nucleotidase (Homo sapiens (Human))	BDBM50527138 (CHEMBL4475460) Show SMILES Nc1nc(Cl)nc2n(cnc12)[C@@H]1O[C@H](COP(O)(=O)CP(O)(O)=O)[C@@H](O)[C@H]1O |r| Show InChI InChI=1S/C11H16ClN5O9P2/c12-11-15-8(13)5-9(16-11)17(2-14-5)10-7(19)6(18)4(26-10)1-25-28(23,24)3-27(20,21)22/h2,4,6-7,10,18-19H,1,3H2,(H,23,24)(H2,13,15,16)(H2,20,21,22)/t4-,6-,7-,10-/m1/s1	PDB UniProtKB/SwissProt 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
University of Bonn Curated by ChEMBL					Assay Description Inhibition of purified recombinant soluble human CD73 expressed in Sf9 cells [3H]AMP as substrate incubated for 25 mins by scintillation counting met...				J Med Chem 63: 2941-2957 (2020) Article DOI: 10.1021/acs.jmedchem.9b01611 BindingDB Entry DOI: 10.7270/Q2NS0ZBH
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM21220 ((2S,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-N-ethyl-3,...) Show SMILES CCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H16N6O4/c1-2-14-11(21)8-6(19)7(20)12(22-8)18-4-17-5-9(13)15-3-16-10(5)18/h3-4,6-8,12,19-20H,2H2,1H3,(H,14,21)(H2,13,15,16)/t6-,7+,8-,12+/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	6.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Displacement of [3H]PSB-11 from human recombinant adenosine A3 receptor expressed in CHO cells				ACS Med Chem Lett 2: 890-895 (2011) Article DOI: 10.1021/ml200189u BindingDB Entry DOI: 10.7270/Q20R9QF4
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50513674 (CHEMBL4458485) Show SMILES CN1C(=O)\C(=N/c2ccc(NC(=O)Nc3ccc(cc3)S(N)(=O)=O)cc2)c2cc(Cl)ccc12 Show InChI InChI=1S/C22H18ClN5O4S/c1-28-19-11-2-13(23)12-18(19)20(21(28)29)25-14-3-5-15(6-4-14)26-22(30)27-16-7-9-17(10-8-16)33(24,31)32/h2-12H,1H3,(H2,24,31,32)(H2,26,27,30)/b25-20-	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Cairo University Curated by ChEMBL					Assay Description Inhibition of human recombinant carbonic anhydrase 12 expressed in Escherichia coli by stopped flow CO2 hydration assay				Eur J Med Chem 179: 547-556 (2019) Article DOI: 10.1016/j.ejmech.2019.06.081 BindingDB Entry DOI: 10.7270/Q2736V81
					More data for this Ligand-Target Pair
Adenosine receptor A3 (Homo sapiens (Human))	BDBM50550815 (CHEMBL4752438) Show SMILES COc1ccc(cc1)-n1c(nc2ccccc2c1=O)-c1sc(NC(=O)c2ccco2)nc1-c1ccccc1 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]PSB-11 from human adenosine receptor A3 expressed in CHO cell membranes incubated for 60 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50550818 (CHEMBL4797325) Show SMILES Fc1ccc(C(=O)c2sc(NC(=O)c3ccco3)nc2-c2ccccc2)c(F)c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt 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]CCPA from adenosine receptor A1 in rat brain cortex membranes incubated for 90 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50492052 (CHEMBL2391834) Show SMILES O=C(Nc1nc(c(s1)-c1ccncc1)-c1ccccc1)c1ccco1 Show InChI InChI=1S/C19H13N3O2S/c23-18(15-7-4-12-24-15)22-19-21-16(13-5-2-1-3-6-13)17(25-19)14-8-10-20-11-9-14/h1-12H,(H,21,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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]MSX2 from human adenosine receptor A2A expressed in HEK293 cell membranes incubated for 30 mins by radioligand competition assay				Citation and Details Article DOI: 10.1016/j.ejmech.2019.111879 BindingDB Entry DOI: 10.7270/Q24T6P0P
					More data for this Ligand-Target Pair

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