Compile Data Set for Download or QSAR

Found 1202 hits with Last Name = 'gonzalez' and Initial = 'j'   

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
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125l]-lodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112090 BindingDB Entry DOI: 10.7270/Q2P272WN
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500684 (CHEMBL3752046) Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |r| Show InChI InChI=1S/C13H19FN2O4S/c1-9(2)12(13(17)20-3)16-21(18,19)15-8-10-4-6-11(14)7-5-10/h4-7,9,12,15-16H,8H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500683 (CHEBI:82431 | E952 | Sodium Cyclamate) Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500679 (CHEMBL3752852) Show SMILES COC(=O)CCNS(=O)(=O)NCC(C)C Show InChI InChI=1S/C8H18N2O4S/c1-7(2)6-10-15(12,13)9-5-4-8(11)14-3/h7,9-10H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Melatonin receptor type 1A (Homo sapiens (Human))	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.270	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125l]-lodomelatonin from human MT1 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112090 BindingDB Entry DOI: 10.7270/Q2P272WN
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500678 (CHEMBL3752328) Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 |r| Show InChI InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500682 (CHEMBL3754185) Show SMILES CCCCCCNS(=O)(=O)NCCC(=O)OC Show InChI InChI=1S/C10H22N2O4S/c1-3-4-5-6-8-11-17(14,15)12-9-7-10(13)16-2/h11-12H,3-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500677 (CHEMBL3754060) Show SMILES COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C12H18N2O4S/c1-10(11-6-4-3-5-7-11)14-19(16,17)13-9-8-12(15)18-2/h3-7,10,13-14H,8-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.310	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500675 (CHEMBL3752037) Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |r| Show InChI InChI=1S/C14H22N2O4S/c1-11(2)10-15-21(18,19)16-13(14(17)20-3)9-12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.370	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500676 (CHEMBL3754636) Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C |r| Show InChI InChI=1S/C10H22N2O4S/c1-7(2)6-11-17(14,15)12-9(8(3)4)10(13)16-5/h7-9,11-12H,6H2,1-5H3/t9-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.390	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500681 (CHEMBL3754723) Show SMILES COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.16.19,18:17:20:14.13.12,THB:12:13:16:20.11.19,12:11:14.13.18:16,10:11:14.13.18:16| Show InChI InChI=1S/C14H24N2O4S/c1-20-13(17)2-3-15-21(18,19)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15-16H,2-9H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.430	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500674 (CHEMBL3752196) Show SMILES COC(=O)CCNS(=O)(=O)NCc1ccc(F)cc1 Show InChI InChI=1S/C11H15FN2O4S/c1-18-11(15)6-7-13-19(16,17)14-8-9-2-4-10(12)5-3-9/h2-5,13-14H,6-8H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.450	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM82070 (CAS_29790-52-1 | NICOTINE-L (BASE) | Nicotine-D sa...) Show SMILES CN1CCC[C@H]1c1cccnc1 |r| Show InChI InChI=1S/C10H14N2/c1-12-7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3/t10-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	Purchase KEGG PC cid PC sid PDB UniChem Similars	PDB Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Chile Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50500678 (CHEMBL3752328) Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 |r| Show InChI InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.660	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50500684 (CHEMBL3752046) Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |r| Show InChI InChI=1S/C13H19FN2O4S/c1-9(2)12(13(17)20-3)16-21(18,19)15-8-10-4-6-11(14)7-5-10/h4-7,9,12,15-16H,8H2,1-3H3/t12-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	0.740	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312965 (CHEMBL1081812 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...) Show SMILES O=C(Nc1ccc(-c2ccncc2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C18H15N3O2/c22-18(13-3-4-13)21-16-6-5-14(12-7-9-19-10-8-12)17(20-16)15-2-1-11-23-15/h1-2,5-11,13H,3-4H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313071 (7-(furan-2-yl)-6-(pyrimidin-4-yl)pyrido[2,3-d]pyri...) Show SMILES O=c1[nH]c2nc(-c3ccco3)c(cc2c(=O)[nH]1)-c1ccncn1 Show InChI InChI=1S/C15H9N5O3/c21-14-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-23-11)18-13(9)19-15(22)20-14/h1-7H,(H2,18,19,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312950 (CHEMBL1079804 | N-(3'-fluoro-2-(furan-2-yl)-3,4'-b...) Show SMILES Fc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1 Show InChI InChI=1S/C18H14FN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Homo sapiens (Human))	BDBM50433566 (CHEMBL2381566) Show SMILES CN1CCC[C@H]1COC(=O)c1ccc(OCc2ccccc2)cc1 |r| Show InChI InChI=1S/C20H23NO3/c1-21-13-5-8-18(21)15-24-20(22)17-9-11-19(12-10-17)23-14-16-6-3-2-4-7-16/h2-4,6-7,9-12,18H,5,8,13-15H2,1H3/t18-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL 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
University of Chile Curated by ChEMBL					Assay Description Displacement of [3H]cytisine from human alpha4beta2 nAChR overexpressed in human SHEP cells after 75 mins by liquid scintillation spectrometric analy...				Bioorg Med Chem 21: 2687-94 (2013) Article DOI: 10.1016/j.bmc.2013.03.024 BindingDB Entry DOI: 10.7270/Q2MW2JJQ
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312958 (CHEMBL1082028 | N-(2-(2-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1ccccc1-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-17-4-2-1-3-16(17)19-15(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)14-5-6-14/h1-4,7-12,14H,5-6H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312959 (CHEMBL1076587 | N-(2-(3-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1cccc(c1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-16-3-1-2-15(12-16)19-17(13-8-10-22-11-9-13)6-7-18(23-19)24-20(25)14-4-5-14/h1-3,6-12,14H,4-5H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500680 (CHEMBL3752390) Show SMILES COC(=O)CCNS(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (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 PDB Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 7 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313073 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES O=c1[nH][nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 Show InChI InChI=1S/C14H9N5O2/c20-14-9-6-8(10-3-4-15-7-16-10)12(11-2-1-5-21-11)17-13(9)18-19-14/h1-7H,(H2,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50500683 (CHEBI:82431 | E952 | Sodium Cyclamate) Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312966 (CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...) Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312961 (CHEMBL1081038 | N-(2-(4-fluorophenyl)-3,4'-bipyrid...) Show SMILES Fc1ccc(cc1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C20H16FN3O/c21-16-5-3-14(4-6-16)19-17(13-9-11-22-12-10-13)7-8-18(23-19)24-20(25)15-1-2-15/h3-12,15H,1-2H2,(H,23,24,25)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312966 (CHEMBL1081971 | N-(6-(furan-2-yl)-5-(pyrimidin-4-y...) Show SMILES O=C(Nc1ccc(-c2ccncn2)c(n1)-c1ccco1)C1CC1 Show InChI InChI=1S/C17H14N4O2/c22-17(11-3-4-11)21-15-6-5-12(13-7-8-18-10-19-13)16(20-15)14-2-1-9-23-14/h1-2,5-11H,3-4H2,(H,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50096968 (CHEMBL3580919) Show SMILES COc1ccc2[nH]cc(CCc3n[nH]c(=O)o3)c2c1 Show InChI InChI=1S/C13H13N3O3/c1-18-9-3-4-11-10(6-9)8(7-14-11)2-5-12-15-16-13(17)19-12/h3-4,6-7,14H,2,5H2,1H3,(H,16,17)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125l]-lodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112090 BindingDB Entry DOI: 10.7270/Q2P272WN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50500679 (CHEMBL3752852) Show SMILES COC(=O)CCNS(=O)(=O)NCC(C)C Show InChI InChI=1S/C8H18N2O4S/c1-7(2)6-10-15(12,13)9-5-4-8(11)14-3/h7,9-10H,4-6H2,1-3H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312949 (CHEMBL1079803 | N-(3'-chloro-2-(furan-2-yl)-3,4'-b...) Show SMILES Clc1cnccc1-c1ccc(NC(=O)C2CC2)nc1-c1ccco1 Show InChI InChI=1S/C18H14ClN3O2/c19-14-10-20-8-7-12(14)13-5-6-16(22-18(23)11-3-4-11)21-17(13)15-2-1-9-24-15/h1-2,5-11H,3-4H2,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312951 (CHEMBL1082005 | N-(2-(5-methylfuran-2-yl)-3,4'-bip...) Show SMILES Cc1ccc(o1)-c1nc(NC(=O)C2CC2)ccc1-c1ccncc1 Show InChI InChI=1S/C19H17N3O2/c1-12-2-6-16(24-12)18-15(13-8-10-20-11-9-13)5-7-17(21-18)22-19(23)14-3-4-14/h2,5-11,14H,3-4H2,1H3,(H,21,22,23)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50500682 (CHEMBL3754185) Show SMILES CCCCCCNS(=O)(=O)NCCC(=O)OC Show InChI InChI=1S/C10H22N2O4S/c1-3-4-5-6-8-11-17(14,15)12-9-7-10(13)16-2/h11-12H,3-9H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Melatonin receptor type 1B (Homo sapiens (Human))	BDBM50564112 (CHEMBL4797226) Show SMILES COc1ccc2cccc(\C=C\c3n[nH]c(=O)o3)c2c1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Displacement of [125l]-lodomelatonin from human MT2 receptor expressed in CHO cells incubated for 120 mins by scintillation counting analysis				Citation and Details Article DOI: 10.1016/j.ejmech.2020.112090 BindingDB Entry DOI: 10.7270/Q2P272WN
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50500677 (CHEMBL3754060) Show SMILES COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C12H18N2O4S/c1-10(11-6-4-3-5-7-11)14-19(16,17)13-9-8-12(15)18-2/h3-7,10,13-14H,8-9H2,1-2H3	PDB MMDB 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
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					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
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313078 (5-(furan-2-yl)-6-(pyrimidin-4-yl)-1H-imidazo[4,5-b...) Show SMILES O=c1[nH]c2cc(-c3ccncn3)c(nc2[nH]1)-c1ccco1 Show InChI InChI=1S/C14H9N5O2/c20-14-17-10-6-8(9-3-4-15-7-16-9)12(18-13(10)19-14)11-2-1-5-21-11/h1-7H,(H2,17,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50500682 (CHEMBL3754185) Show SMILES CCCCCCNS(=O)(=O)NCCC(=O)OC Show InChI InChI=1S/C10H22N2O4S/c1-3-4-5-6-8-11-17(14,15)12-9-7-10(13)16-2/h11-12H,3-9H2,1-2H3	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
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50500679 (CHEMBL3752852) Show SMILES COC(=O)CCNS(=O)(=O)NCC(C)C Show InChI InChI=1S/C8H18N2O4S/c1-7(2)6-10-15(12,13)9-5-4-8(11)14-3/h7,9-10H,4-6H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50500678 (CHEMBL3752328) Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCc1ccc(F)cc1 |r| Show InChI InChI=1S/C17H19FN2O4S/c1-24-17(21)16(11-13-5-3-2-4-6-13)20-25(22,23)19-12-14-7-9-15(18)10-8-14/h2-10,16,19-20H,11-12H2,1H3/t16-/m0/s1	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
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50500683 (CHEBI:82431 | E952 | Sodium Cyclamate) Show SMILES [Na;v0+].[#8-]S(=O)(=O)[#7]-[#6]-1-[#6]-[#6]-[#6]-[#6]-[#6]-1 Show InChI InChI=1S/C6H13NO3S/c8-11(9,10)7-6-4-2-1-3-5-6/h6-7H,1-5H2,(H,8,9,10)/p-1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	6.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50500675 (CHEMBL3752037) Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |r| Show InChI InChI=1S/C14H22N2O4S/c1-11(2)10-15-21(18,19)16-13(14(17)20-3)9-12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 12 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50312964 (CHEMBL1081811 | N-(2-(furan-2-yl)-3,4'-bipyridin-6...) Show SMILES CC(=O)Nc1ccc(-c2ccncc2)c(n1)-c1ccco1 Show InChI InChI=1S/C16H13N3O2/c1-11(20)18-15-5-4-13(12-6-8-17-9-7-12)16(19-15)14-3-2-10-21-14/h2-10H,1H3,(H,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1697-700 (2010) Article DOI: 10.1016/j.bmcl.2010.01.045 BindingDB Entry DOI: 10.7270/Q2QV3MNV
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50500680 (CHEMBL3752390) Show SMILES COC(=O)CCNS(=O)(=O)NCCc1ccccc1 Show InChI InChI=1S/C12H18N2O4S/c1-18-12(15)8-10-14-19(16,17)13-9-7-11-5-3-2-4-6-11/h2-6,13-14H,7-10H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50500684 (CHEMBL3752046) Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCc1ccc(F)cc1)C(C)C |r| Show InChI InChI=1S/C13H19FN2O4S/c1-9(2)12(13(17)20-3)16-21(18,19)15-8-10-4-6-11(14)7-5-10/h4-7,9,12,15-16H,8H2,1-3H3/t12-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	7.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50500677 (CHEMBL3754060) Show SMILES COC(=O)CCNS(=O)(=O)NC(C)c1ccccc1 Show InChI InChI=1S/C12H18N2O4S/c1-10(11-6-4-3-5-7-11)14-19(16,17)13-9-8-12(15)18-2/h3-7,10,13-14H,8-9H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50500675 (CHEMBL3752037) Show SMILES COC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)NCC(C)C |r| Show InChI InChI=1S/C14H22N2O4S/c1-11(2)10-15-21(18,19)16-13(14(17)20-3)9-12-7-5-4-6-8-12/h4-8,11,13,15-16H,9-10H2,1-3H3/t13-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	7.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50500676 (CHEMBL3754636) Show SMILES COC(=O)[C@@H](NS(=O)(=O)NCC(C)C)C(C)C |r| Show InChI InChI=1S/C10H22N2O4S/c1-7(2)6-11-17(14,15)12-9(8(3)4)10(13)16-5/h7-9,11-12H,6H2,1-5H3/t9-/m0/s1	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
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Carbonic anhydrase 14 (Homo sapiens (Human))	BDBM50500681 (CHEMBL3754723) Show SMILES COC(=O)CCNS(=O)(=O)NC12CC3CC(CC(C3)C1)C2 |TLB:18:13:20:17.16.19,18:17:20:14.13.12,THB:12:13:16:20.11.19,12:11:14.13.18:16,10:11:14.13.18:16| Show InChI InChI=1S/C14H24N2O4S/c1-20-13(17)2-3-15-21(18,19)16-14-7-10-4-11(8-14)6-12(5-10)9-14/h10-12,15-16H,2-9H2,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National University of La Plata Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase 14 preincubated for 15 mins by stopped-flow CO2 hydration assay				Bioorg Med Chem 24: 894-901 (2016) Article DOI: 10.1016/j.bmc.2016.01.012 BindingDB Entry DOI: 10.7270/Q27H1NKT
					More data for this Ligand-Target Pair
Adenosine receptor A2b (Homo sapiens (Human))	BDBM50313076 (6-(furan-2-yl)-5-(pyrimidin-4-yl)-1H-pyrazolo[3,4-...) Show SMILES Nc1n[nH]c2nc(-c3ccco3)c(cc12)-c1ccncn1 Show InChI InChI=1S/C14H10N6O/c15-13-9-6-8(10-3-4-16-7-17-10)12(11-2-1-5-21-11)18-14(9)20-19-13/h1-7H,(H3,15,18,19,20)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Rhône-Poulenc Rorer Curated by ChEMBL					Assay Description Displacement of [3H]DPCPX from human adenosine A2B receptor expressed in HEK293 cells after 60 mins by filtration binding assay				Bioorg Med Chem Lett 20: 1634-7 (2010) Article DOI: 10.1016/j.bmcl.2010.01.077 BindingDB Entry DOI: 10.7270/Q2GB2452
					More data for this Ligand-Target Pair

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