BindingDB PrimarySearch

Found 1507 hits with Last Name = 'villa' and Initial = 'm'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500683 (CHEBI:82431 \| E952 \| Sodium Cyclamate) Show SMILES Show InChI	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500684 (CHEMBL3752046) Show SMILES Show InChI	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414600 (CHEMBL570317) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.251	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					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	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500678 (CHEMBL3752328) Show SMILES Show InChI	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM50210579 ((2S,5S,8S,11R,13S,14S,17S,20S,23S)-23-amino-2-benz...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Similars	MMDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 ectodomain (1 to 460 amino acids) assessed as inhibition of proteolytic cleavage of Rhodamine-EVNLDAEFK-Quenche...				J Med Chem 54: 3081-5 (2011) Article DOI: 10.1021/jm101568y BindingDB Entry DOI: 10.7270/Q20C4W7T
Universidad de Santiago de Compostela Curated by ChEMBL					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	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
National University of La Plata Curated by ChEMBL					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	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500675 (CHEMBL3752037) Show SMILES Show InChI	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500676 (CHEMBL3754636) Show SMILES Show InChI	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50274953 (5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carbonitri...) Show SMILES N#Cc1cc2cc(ccc2[nH]1)C1(Cc2ccccc2)CCNC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 7 (Homo sapiens (Human))	BDBM50500681 (CHEMBL3754723) Show SMILES Show InChI	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
National University of La Plata Curated by ChEMBL					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	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM84745 (CAS_136434-34-9 \| DULOXETINE \| LY-248686 \| LY24868...) Show SMILES CNCC[C@H](Oc1cccc2ccccc12)c1cccs1 \|r\| Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	0.501	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50500678 (CHEMBL3752328) Show SMILES Show InChI	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50500684 (CHEMBL3752046) Show SMILES Show InChI	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414593 (CHEMBL560535) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ccc2c1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.794	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50274951 (5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole \| C...) Show SMILES Cn1ccc2cc(ccc12)C1(Cc2ccccc2)CCNC1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50275439 (5-(3-benzylpyrrolidin-3-yl)-1H-indazole \| CHEMBL52...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2[nH]ncc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50004566 (9-Chloro-2-furan-2-yl-[1,2,4]triazolo[1,5-c]quinaz...) Show SMILES Nc1nc2ccc(Cl)cc2c2nc(nn12)-c1ccco1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
Università degli Studi di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
Università degli Studi di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414583 (CHEMBL564094) Show SMILES Fc1cccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414590 (CHEMBL561598) Show SMILES C(N(C1CCNCC1)c1ccc2[nH]ncc2c1)c1ccccc1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM198 ((2S)-N-[(2S,3S,4S,5S)-3,4-dihydroxy-5-[(2S)-3-meth...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	1.30	-52.8	n/a	n/a	n/a	n/a	n/a	4.7	37
Universidad de Santiago de Compostela					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				J Med Chem 51: 852-60 (2008) Article DOI: 10.1021/jm701170f BindingDB Entry DOI: 10.7270/Q2QN652X
Universidad de Santiago de Compostela					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051234 (2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
Università degli Studi di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM21173 (1,3-dipropyl-8-cyclopentylxanthine \| 8-cyclopentyl...) Show SMILES CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)C1CCCC1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL KEGG PC cid PC sid UniChem Patents Similars	Article PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
Università degli Studi di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414597 (CHEMBL550870) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-secretase 1 (Homo sapiens (Human))	BDBM16047 ((4S)-4-[(2S)-2-[(2R,4S,5S)-5-[(2S)-2-[(2S)-2-[(4S)...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	1.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 ectodomain (1 to 460 amino acids) assessed as inhibition of proteolytic cleavage of Rhodamine-EVNLDAEFK-Quenche...				J Med Chem 54: 3081-5 (2011) Article DOI: 10.1021/jm101568y BindingDB Entry DOI: 10.7270/Q20C4W7T
Universidad de Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50094688 (2-(furan-2-yl)-8-isopentyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
Università degli Studi di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414602 (CHEMBL551818) Show SMILES Fc1ccc(CN(C2CCNCC2)c2ccc3[nH]ccc3c2)cc1 Show InChI	PDB 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
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50274954 (5-(3-benzylpyrrolidin-3-yl)-1H-indole-2-carboxamid...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
Roche Palo Alto LLC Curated by ChEMBL					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	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50048466 (2-(furan-2-yl)-7-phenethyl-7H-pyrazolo[4,3-e][1,2,...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
Università degli Studi di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051242 (8-Butyl-2-furan-2-yl-8H-pyrazolo[4,3-e][1,2,4]tria...) Show SMILES CCCCn1cc2c(n1)nc(N)n1nc(nc21)-c1ccco1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
Università degli Studi di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A2a (Rattus norvegicus (rat))	BDBM50051241 (2-(furan-2-yl)-7-(3-phenylpropyl)-7H-pyrazolo[4,3-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CGS- 21680 binding to Adenosine A2A receptor in rat striatal homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
Università degli Studi di Ferrara Curated by ChEMBL					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	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-secretase 1 (Homo sapiens (Human))	BDBM16250 (CHEMBL290001 \| N-(tert-butoxycarbonyl)-L-valyl-N-[...) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universidad de Santiago de Compostela Curated by ChEMBL					Assay Description Inhibition of human recombinant BACE1 ectodomain (1 to 460 amino acids) assessed as inhibition of proteolytic cleavage of Rhodamine-EVNLDAEFK-Quenche...				J Med Chem 54: 3081-5 (2011) Article DOI: 10.1021/jm101568y BindingDB Entry DOI: 10.7270/Q20C4W7T
Universidad de Santiago de Compostela Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414599 (CHEMBL564285) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.51	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50275440 (3-(benzo[b]thiophen-5-yl)-3-benzylpyrrolidine \| CH...) Show SMILES C(c1ccccc1)C1(CCNC1)c1ccc2sccc2c1 Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
D(2) dopamine receptor (Rattus norvegicus (rat))	BDBM21398 (4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Santiago Curated by ChEMBL					Assay Description Binding affinity towards Dopamine receptor D2 in rat frontal striatum using [3H]spiperone				Bioorg Med Chem Lett 13: 175-8 (2002) BindingDB Entry DOI: 10.7270/Q2T43V8H
University of Santiago Curated by ChEMBL					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM20714 ((2S)-N-[(2S,3S,4S,5S)-6-cyclohexyl-3,4-dihydroxy-5...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	3.20	-50.4	n/a	n/a	n/a	n/a	n/a	4.7	37
Universidad de Santiago de Compostela					Assay Description The inhibition constants Ki were determined by monitoring the inhibition of hydrolysis of the chromogenic substrate using a Hewlett-Packard 8452A spe...				J Med Chem 51: 852-60 (2008) Article DOI: 10.1021/jm701170f BindingDB Entry DOI: 10.7270/Q2QN652X
Universidad de Santiago de Compostela					More data for this Ligand-Target Pair				3D Structure (crystal)
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051232 (8-(4-Fluoro-benzyl)-2-furan-2-yl-8H-pyrazolo[4,3-e...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	3.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
Università degli Studi di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM50500683 (CHEBI:82431 \| E952 \| Sodium Cyclamate) Show SMILES Show InChI	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
National University of La Plata Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414584 (CHEMBL557119) Show SMILES Fc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414588 (CHEMBL552938) Show SMILES Cn1ccc2cc(ccc12)N(Cc1ccccc1)C1CCNCC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM50414597 (CHEMBL550870) Show SMILES Show InChI	Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of NET				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50414601 (CHEMBL550469) Show SMILES N#Cc1ccccc1CN(C1CCNCC1)c1ccc2[nH]ccc2c1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.98	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT				Bioorg Med Chem Lett 19: 4630-3 (2009) Article DOI: 10.1016/j.bmcl.2009.06.076 BindingDB Entry DOI: 10.7270/Q2WH2R7V
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50274952 (CHEMBL512551 \| ethyl 5-(3-benzylpyrrolidin-3-yl)-1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Homo sapiens (Human))	BDBM50274951 (5-(3-benzylpyrrolidin-3-yl)-1-methyl-1H-indole \| C...) Show SMILES Cn1ccc2cc(ccc12)C1(Cc2ccccc2)CCNC1 Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Roche Palo Alto LLC Curated by ChEMBL					Assay Description Inhibition of SERT (unknown origin)				Bioorg Med Chem Lett 18: 6062-6 (2008) Article DOI: 10.1016/j.bmcl.2008.10.025 BindingDB Entry DOI: 10.7270/Q29886TF
Roche Palo Alto LLC Curated by ChEMBL					More data for this Ligand-Target Pair
Adenosine receptor A1 (Rattus norvegicus (rat))	BDBM50051234 (2-(furan-2-yl)-8-phenethyl-8H-pyrazolo[4,3-e][1,2,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Università degli Studi di Ferrara Curated by ChEMBL					Assay Description Inhibition of [3H]-CHA binding to Adenosine A1 receptor in rat whole brain homogenates.				J Med Chem 39: 1164-71 (1996) Article DOI: 10.1021/jm950746l BindingDB Entry DOI: 10.7270/Q2NP23H4
Università degli Studi di Ferrara Curated by ChEMBL					More data for this Ligand-Target Pair

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