Compile Data Set for Download or QSAR

Found 1784 hits with Last Name = 'gros' 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
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50518510 (CHEMBL4448325) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CCCO)n([C@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C17H18Cl2N4O2/c18-11-8-12(16(20)25)22-17-14(11)15(19)13(5-1-2-7-24)23(17)10-4-3-6-21-9-10/h8,10,21,24H,2-4,6-7,9H2,(H2,20,25)/t10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015 BindingDB Entry DOI: 10.7270/Q21V5J93
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50108018 (7-(3-(4-aminophenyl)propyl)-2-(furan-2-yl)-7H-pyra...) Show SMILES Nc1ccc(CCCn2ncc3c2nc(N)n2nc(nc32)-c2ccco2)cc1 Show InChI InChI=1S/C19H18N8O/c20-13-7-5-12(6-8-13)3-1-9-26-17-14(11-22-26)18-23-16(15-4-2-10-28-15)25-27(18)19(21)24-17/h2,4-8,10-11H,1,3,9,20H2,(H2,21,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.220	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against WT human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.350	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against Q89D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50518517 (CHEMBL4540910) Show SMILES COCCC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r| Show InChI InChI=1S/C18H20Cl2N4O2/c1-26-8-3-2-6-14-16(20)15-12(19)9-13(17(21)25)23-18(15)24(14)11-5-4-7-22-10-11/h9,11,22H,3-5,7-8,10H2,1H3,(H2,21,25)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	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
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015 BindingDB Entry DOI: 10.7270/Q21V5J93
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against H278D human adenosine A2A receptor stably transfected in CHO cells using [3H]- ZM-241385 as radioligand.				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.520	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against H278E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50518506 (CHEMBL4588948) Show SMILES CC(O)CC#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r| Show InChI InChI=1S/C18H20Cl2N4O2/c1-10(25)4-2-6-14-16(20)15-12(19)8-13(17(21)26)23-18(15)24(14)11-5-3-7-22-9-11/h8,10-11,22,25H,3-5,7,9H2,1H3,(H2,21,26)/t10?,11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015 BindingDB Entry DOI: 10.7270/Q21V5J93
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.670	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against T88E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50518520 (CHEMBL4593810) Show SMILES CC(O)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r| Show InChI InChI=1S/C17H18Cl2N4O2/c1-9(24)4-5-13-15(19)14-11(18)7-12(16(20)25)22-17(14)23(13)10-3-2-6-21-8-10/h7,9-10,21,24H,2-3,6,8H2,1H3,(H2,20,25)/t9?,10-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015 BindingDB Entry DOI: 10.7270/Q21V5J93
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.840	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against WT human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50518507 (CHEMBL4583118) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CNCCO3)n([C@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C19H21Cl2N5O2/c20-13-8-14(18(22)27)25-19-16(13)17(21)15(4-3-12-10-24-6-7-28-12)26(19)11-2-1-5-23-9-11/h8,11-12,23-24H,1-2,5-7,9-10H2,(H2,22,27)/t11-,12?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015 BindingDB Entry DOI: 10.7270/Q21V5J93
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.910	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against T88D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI InChI=1S/C13H8ClN5O/c14-7-3-4-9-8(6-7)12-17-11(10-2-1-5-20-10)18-19(12)13(15)16-9/h1-6H,(H2,15,16)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against S277E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50518514 (CHEMBL4563802) Show SMILES CN1CC(CC1=O)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r| Show InChI InChI=1S/C20H21Cl2N5O2/c1-26-10-11(7-16(26)28)4-5-15-18(22)17-13(21)8-14(19(23)29)25-20(17)27(15)12-3-2-6-24-9-12/h8,11-12,24H,2-3,6-7,9-10H2,1H3,(H2,23,29)/t11?,12-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015 BindingDB Entry DOI: 10.7270/Q21V5J93
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50518518 (CHEMBL4470576) Show SMILES CC1(COC1)C#Cc1c(Cl)c2c(Cl)cc(nc2n1[C@H]1CCCNC1)C(N)=O |r| Show InChI InChI=1S/C19H20Cl2N4O2/c1-19(9-27-10-19)5-4-14-16(21)15-12(20)7-13(17(22)26)24-18(15)25(14)11-3-2-6-23-8-11/h7,11,23H,2-3,6,8-10H2,1H3,(H2,22,26)/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015 BindingDB Entry DOI: 10.7270/Q21V5J93
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50518505 (CHEMBL4518492) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CC3CCCO3)n([C@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C19H20Cl2N4O2/c20-13-9-14(18(22)26)24-19-16(13)17(21)15(6-5-12-4-2-8-27-12)25(19)11-3-1-7-23-10-11/h9,11-12,23H,1-4,7-8,10H2,(H2,22,26)/t11-,12?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015 BindingDB Entry DOI: 10.7270/Q21V5J93
					More data for this Ligand-Target Pair
Adenosine receptor A2a (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against Q89D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair				3D Structure (crystal)
Acetylcholinesterase (Electrophorus electricus (Electric eel))	BDBM50124895 (CHEMBL3623568) Show SMILES CC(=O)C(F)(F)CCC(C)(C)C Show InChI InChI=1S/C9H16F2O/c1-7(12)9(10,11)6-5-8(2,3)4/h5-6H2,1-4H3	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Virginia Tech Curated by ChEMBL					Assay Description Inhibition of electric eel AChE				Bioorg Med Chem Lett 25: 4405-11 (2015) Article DOI: 10.1016/j.bmcl.2015.09.019 BindingDB Entry DOI: 10.7270/Q2Z60QV8
					More data for this Ligand-Target Pair
Serine/threonine-protein kinase pim-1 (Homo sapiens (Human))	BDBM50518522 (CHEMBL4466080) Show SMILES NC(=O)c1cc(Cl)c2c(Cl)c(C#CCO)n([C@H]3CCCNC3)c2n1 |r| Show InChI InChI=1S/C16H16Cl2N4O2/c17-10-7-11(15(19)24)21-16-13(10)14(18)12(4-2-6-23)22(16)9-3-1-5-20-8-9/h7,9,20,23H,1,3,5-6,8H2,(H2,19,24)/t9-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD 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
Sanofi Curated by ChEMBL					Assay Description Inhibition of PIM1 (unknown origin) assessed as reduction in BAD phosphorylation at Ser-112 residue by TR-FRET assay				Bioorg Med Chem Lett 29: 491-495 (2019) Article DOI: 10.1016/j.bmcl.2018.12.015 BindingDB Entry DOI: 10.7270/Q21V5J93
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50106539 ((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...) Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	3.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against Q89D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50106539 ((2S,3S,4R,5R)-5-(6-Amino-purin-9-yl)-3,4-dihydroxy...) Show SMILES NCCNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N)ncnc12 Show InChI InChI=1S/C12H17N7O4/c13-1-2-15-11(22)8-6(20)7(21)12(23-8)19-4-18-5-9(14)16-3-17-10(5)19/h3-4,6-8,12,20-21H,1-2,13H2,(H,15,22)(H2,14,16,17)/t6-,7+,8-,12+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	4.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against T88D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50106535 ((2R,3R,4S,5S)-4-Amino-5-hydroxymethyl-2-[6-(3-iodo...) Show SMILES N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C17H19IN6O3/c18-10-3-1-2-9(4-10)5-20-15-13-16(22-7-21-15)24(8-23-13)17-14(26)12(19)11(6-25)27-17/h1-4,7-8,11-12,14,17,25-26H,5-6,19H2,(H,20,21,22)/t11-,12-,14-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against Q89D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50134814 ((2R,3R,4S,5S)-2-(6-(3-iodobenzylamino)-9H-purin-9-...) Show SMILES NC[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C18H21IN6O3/c19-11-3-1-2-10(4-11)6-21-16-14-17(23-8-22-16)25(9-24-14)18-15(27)12(5-20)13(7-26)28-18/h1-4,8-9,12-13,15,18,26-27H,5-7,20H2,(H,21,22,23)/t12-,13-,15-,18-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against T88D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428509 (CHEMBL2331608) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)21-12-10-20(11-13-21)25-22(14-19(15-26)24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,26H,15H2,(H2,23,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428503 (CHEMBL2336615) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1CO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-17(8-10-19)23-18(13-24)12-20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428512 (CHEMBL2336626) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-18(8-10-19)23-20(12-17(13-24)22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (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	DrugBank MMDB PDB Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428520 (CHEMBL2336632) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1cccnc1 Show InChI InChI=1S/C15H14N4O3S/c16-23(21,22)14-5-3-13(4-6-14)19-15(8-12(10-20)18-19)11-2-1-7-17-9-11/h1-9,20H,10H2,(H2,16,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428518 (CHEMBL2336620) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(Br)cc1 Show InChI InChI=1S/C16H14BrN3O3S/c17-12-3-1-11(2-4-12)16-9-13(10-21)19-20(16)14-5-7-15(8-6-14)24(18,22)23/h1-9,21H,10H2,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	15	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428512 (CHEMBL2336626) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-18(8-10-19)23-20(12-17(13-24)22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (Homo sapiens (Human))	BDBM50106535 ((2R,3R,4S,5S)-4-Amino-5-hydroxymethyl-2-[6-(3-iodo...) Show SMILES N[C@@H]1[C@@H](CO)O[C@H]([C@@H]1O)n1cnc2c(NCc3cccc(I)c3)ncnc12 Show InChI InChI=1S/C17H19IN6O3/c18-10-3-1-2-9(4-10)5-20-15-13-16(22-7-21-15)24(8-23-13)17-14(26)12(19)11(6-25)27-17/h1-4,7-8,11-12,14,17,25-26H,5-6,19H2,(H,20,21,22)/t11-,12-,14-,17-/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against T88D human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428511 (CHEMBL2336627) Show SMILES COc1ccc2cc(ccc2c1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-7-4-14-10-16(3-2-15(14)11-19)21-12-17(13-25)23-24(21)18-5-8-20(9-6-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428501 (CHEMBL2336617) Show SMILES NS(=O)(=O)c1cccc(c1)-n1nc(CO)cc1-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-7-3-6-18(12-19)23-20(11-17(13-24)22-23)16-9-8-14-4-1-2-5-15(14)10-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	19.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against H278D human adenosine A2A receptor stably transfected in CHO cells using [3H]- ZM-241385 as radioligand.				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428516 (CHEMBL2336622) Show SMILES COc1ccc(cc1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O4S/c1-24-15-6-2-12(3-7-15)17-10-13(11-21)19-20(17)14-4-8-16(9-5-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428503 (CHEMBL2336615) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(cc1CO)-c1ccc2ccccc2c1 Show InChI InChI=1S/C20H17N3O3S/c21-27(25,26)19-9-7-17(8-10-19)23-18(13-24)12-20(22-23)16-6-5-14-3-1-2-4-15(14)11-16/h1-12,24H,13H2,(H2,21,25,26)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	21.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against WT human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428519 (CHEMBL2336619) Show SMILES Cc1ccc(cc1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O3S/c1-12-2-4-13(5-3-12)17-10-14(11-21)19-20(17)15-6-8-16(9-7-15)24(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428521 (CHEMBL2336631) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CCO)cc1-c1ccccc1 Show InChI InChI=1S/C17H17N3O3S/c18-24(22,23)16-8-6-15(7-9-16)20-17(12-14(19-20)10-11-21)13-4-2-1-3-5-13/h1-9,12,21H,10-11H2,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	24.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against H278E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (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 NCI pathway 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	Article PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428515 (CHEMBL2336623) Show SMILES COc1cccc(c1)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C17H17N3O4S/c1-24-15-4-2-3-12(9-15)17-10-13(11-21)19-20(17)14-5-7-16(8-6-14)25(18,22)23/h2-10,21H,11H2,1H3,(H2,18,22,23)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428522 (CHEMBL2336633) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccccc1 Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)15-8-6-14(7-9-15)19-16(10-13(11-20)18-19)12-4-2-1-3-5-12/h1-10,20H,11H2,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428509 (CHEMBL2331608) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(cc1)-c1ccccc1 Show InChI InChI=1S/C22H19N3O3S/c23-29(27,28)21-12-10-20(11-13-21)25-22(14-19(15-26)24-25)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-14,26H,15H2,(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428517 (CHEMBL2336621) Show SMILES NS(=O)(=O)c1ccc(cc1)-n1nc(CO)cc1-c1ccc(cc1)C#N Show InChI InChI=1S/C17H14N4O3S/c18-10-12-1-3-13(4-2-12)17-9-14(11-22)20-21(17)15-5-7-16(8-6-15)25(19,23)24/h1-9,22H,11H2,(H2,19,23,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	27	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428500 (CHEMBL2336618) Show SMILES COc1ccc2cc(ccc2c1)-c1cc(CO)nn1-c1cccc(c1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-8-7-14-9-16(6-5-15(14)10-19)21-11-17(13-25)23-24(21)18-3-2-4-20(12-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Adenosine receptor A2a (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 MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	29.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
NIDDK Curated by ChEMBL					Assay Description Binding affinity against S277E human adenosine A2A receptor expressed in CHO cells using [3H]- ZM-241385				J Med Chem 46: 4847-59 (2003) Article DOI: 10.1021/jm0300431 BindingDB Entry DOI: 10.7270/Q24M9584
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428510 (CHEMBL2336628) Show SMILES COc1ccc2cc(ccc2c1Br)-c1cc(CO)nn1-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H18BrN3O4S/c1-29-20-9-3-13-10-14(2-8-18(13)21(20)22)19-11-15(12-26)24-25(19)16-4-6-17(7-5-16)30(23,27)28/h2-11,26H,12H2,1H3,(H2,23,27,28)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM50428505 (CHEMBL2336613) Show SMILES COc1ccc2cc(ccc2c1)-c1nn(cc1CO)-c1ccc(cc1)S(N)(=O)=O Show InChI InChI=1S/C21H19N3O4S/c1-28-19-7-4-14-10-16(3-2-15(14)11-19)21-17(13-25)12-24(23-21)18-5-8-20(9-6-18)29(22,26)27/h2-12,25H,13H2,1H3,(H2,22,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 2 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair
Carbonic anhydrase 9 (Homo sapiens (Human))	BDBM50428502 (CHEMBL2336616) Show SMILES NS(=O)(=O)c1cccc(c1)-n1nc(CO)cc1-c1ccccc1 Show InChI InChI=1S/C16H15N3O3S/c17-23(21,22)15-8-4-7-14(10-15)19-16(9-13(11-20)18-19)12-5-2-1-3-6-12/h1-10,20H,11H2,(H2,17,21,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	31	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Univ. Lille Nord de France Curated by ChEMBL					Assay Description Inhibition of human carbonic anhydrase 9 preincubated for 10 mins by CO2 hydration stopped-flow assay				Bioorg Med Chem 21: 1451-64 (2013) Article DOI: 10.1016/j.bmc.2012.10.029 BindingDB Entry DOI: 10.7270/Q2ZS2XVC
					More data for this Ligand-Target Pair

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