BindingDB PrimarySearch

Found 1195 hits with Last Name = 'bhatt' 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	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50018229 (2-(4-Hydroxy-phenyl)-2-phenyl-propionic acid 2-die...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.165	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 [A65S,N67Q,E69T,I91L,F131V,K170E,L204A] (Homo sapiens (Human))	BDBM210938 (4-(3-quinolinyl)-benzenesulfonamide (4p)) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccccc2c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
University of Florida					More data for this Ligand-Target Pair
Carbonic anhydrase 2 [A65S,N67Q,E69T,I91L,F131V,K170E,L204A] (Homo sapiens (Human))	BDBM210935 (4-(phenyl)-bezenesulfonamide (4a)) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
University of Florida					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50491127 (CHEMBL2377383) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.543	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50491126 (CHEMBL2377266) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.594	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 12 (Homo sapiens (Human))	BDBM210937 (4-(3-formylphenyl)-benzenesulfonamide (4e)) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cccc(C=O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
University of Florida					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM210935 (4-(phenyl)-bezenesulfonamide (4a)) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	Article PubMed	0.800	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
University of Florida					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50018229 (2-(4-Hydroxy-phenyl)-2-phenyl-propionic acid 2-die...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.881	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50403547 (ATROPEN \| ATROPINE) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	0.922	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM210936 (4-(2-methylphenyl)-bezenesulfonamide (4b)) Show SMILES Cc1ccccc1-c1ccc(cc1)S(N)(=O)=O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
University of Florida					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50491119 (CHEMBL2377387) Show SMILES CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50491124 (CHEMBL2377267) Show SMILES CCN(CC)CCOC(=O)C(O)(C1CCCCC1)c1cccs1 Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50403547 (ATROPEN \| ATROPINE) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	1.39	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M4 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50403547 (ATROPEN \| ATROPINE) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	Article PubMed	1.44	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M4 (Homo sapiens (Human))	BDBM50491124 (CHEMBL2377267) Show SMILES CCN(CC)CCOC(=O)C(O)(C1CCCCC1)c1cccs1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.49	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M4 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50491133 (Methylbenactyzium Bromide) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.54	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50491133 (Methylbenactyzium Bromide) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	1.59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM210937 (4-(3-formylphenyl)-benzenesulfonamide (4e)) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cccc(C=O)c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
University of Florida					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50403547 (ATROPEN \| ATROPINE) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG PC cid PC sid UniChem Similars	DrugBank Article PubMed	2.18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254203 (US10112937, Example 88 \| US10150765, Example 88 \| ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt 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
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Antagonist activity at recombinant rat P2X7 expressed in human 1321N1 cells assessed as inhibition of BzATP-induced calcium flux preincubated for 30 ...				J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50240680 (1-(bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piper...) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	2.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase, alpha family (Thiomicrospira crunogena (strain XCL-2))	BDBM10875 (5-(2-chlorophenyl)-1,3,4-thiadiazole-2-sulfonamide...) Show SMILES NS(=O)(=O)c1nnc(s1)-c1ccccc1Cl Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL DrugBank MMDB PC cid PC sid PDB UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM210938 (4-(3-quinolinyl)-benzenesulfonamide (4p)) Show SMILES NS(=O)(=O)c1ccc(cc1)-c1cnc2ccccc2c1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
University of Florida					More data for this Ligand-Target Pair
Carbonic anhydrase, alpha family (Thiomicrospira crunogena (strain XCL-2))	BDBM10886 (2-N-benzene-1,3,4-thiadiazole-2,5-disulfonamide \| ...) Show SMILES NS(=O)(=O)c1nnc(NS(=O)(=O)c2ccccc2)s1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase 2 (Homo sapiens (Human))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-2 by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50491119 (CHEMBL2377387) Show SMILES CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3.12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Homo sapiens (Human))	BDBM16510 ((2S,3S)-3-[[(1S)-1-(isoamylcarbamoyl)-3-methyl-but...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	3.36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Chemical Laboratory (CSIR-NCL) Curated by ChEMBL					Assay Description Inhibition of cathepsin B				Bioorg Med Chem 19: 7129-35 (2011) Article DOI: 10.1016/j.bmc.2011.09.058 BindingDB Entry DOI: 10.7270/Q2KW5GGT
National Chemical Laboratory (CSIR-NCL) Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase, alpha family (Thiomicrospira crunogena (strain XCL-2))	BDBM10882 (6-ethoxy-1,3-benzothiazole-2-sulfonamide \| CHEMBL1...) Show SMILES CCOc1ccc2nc(sc2c1)S(N)(=O)=O Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase, alpha family (Thiomicrospira crunogena (strain XCL-2))	BDBM10885 ((4R)-4-(ethylamino)-2-(3-methoxypropyl)-1,1-dioxo-...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50491133 (Methylbenactyzium Bromide) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	4.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase, alpha family (Thiomicrospira crunogena (strain XCL-2))	BDBM10880 (AZA \| AZA2 \| AZM acetazolamide \| Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	4.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase (Sulfurihydrogenibium sp. (strain YO3AOP1))	BDBM10880 (AZA \| AZA2 \| AZM acetazolamide \| Acerazolamide, AA...) Show SMILES CC(=O)Nc1nnc(s1)S(N)(=O)=O Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	4.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase, alpha family (Thiomicrospira crunogena (strain XCL-2))	BDBM10869 (5-imino-4-methyl-4,5-dihydro-1,3,4-thiadiazole-2-s...) Show SMILES Cn1nc(sc1=N)S(N)(=O)=O Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	4.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Homo sapiens (Human))	BDBM254266 (US10112937, Example 158 \| US10150765, Example 158 ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Displacement of [3H]-A-804598 from recombinant human P2X7 expressed in human 1321N1 cells after 1 hr				J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T
					More data for this Ligand-Target Pair
P2X purinoceptor 7 (Rattus norvegicus (Rat))	BDBM254266 (US10112937, Example 158 \| US10150765, Example 158 ...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research& Development, LLC , 3210 Merryfield Row, San Diego, California 92121, United States. Curated by ChEMBL					Assay Description Displacement of [3H]-A-804598 from recombinant rat P2X7 expressed in human 1321N1 cells after 1 hr				J Med Chem 60: 4559-4572 (2017) Article DOI: 10.1021/acs.jmedchem.7b00408 BindingDB Entry DOI: 10.7270/Q2QN697T
					More data for this Ligand-Target Pair
Carbonic anhydrase (Sulfurihydrogenibium sp. (strain YO3AOP1))	BDBM13063 (4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzene-1-sul...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50491119 (CHEMBL2377387) Show SMILES CCN(CC)CCSC(=O)C(O)(c1ccccc1)c1ccccc1 Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase (Sulfurihydrogenibium sp. (strain YO3AOP1))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase, alpha family (Thiomicrospira crunogena (strain XCL-2))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	5.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Thiomicrospira crunogena XCL-2 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					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	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
University of Florida					Assay Description CA-catalyzed CO2 hydration activity methods were published previously by Cornelio et al. as part of a larger series of benzenesulfonamide-based inhib...				Chembiochem 18: 213-222 (2017) Article DOI: 10.1002/cbic.201600513 BindingDB Entry DOI: 10.7270/Q27H1HFC
University of Florida					More data for this Ligand-Target Pair				3D Structure (crystal)
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50491127 (CHEMBL2377383) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	5.75	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M1 (Homo sapiens (Human))	BDBM50491121 (CHEMBL2377385) Show SMILES Show InChI	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M1 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M2 (Homo sapiens (Human))	BDBM50491132 (CHEMBL2377261) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M2 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50240680 (1-(bicyclo[2.2.1]hept-5-en-2-yl)-1-phenyl-3-(piper...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents	Article PubMed	5.95	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50491128 (CHEMBL2377392) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem	Article PubMed	5.97	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily V member 1 (Homo sapiens (Human))	BDBM20461 ((6E)-N-[(4-hydroxy-3-methoxyphenyl)methyl]-8-methy...) Show SMILES COc1cc(CNC(=O)CCCC\C=C\C(C)C)ccc1O Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research and Development LLC Curated by ChEMBL					Assay Description Binding affinity to human recombinant TRPV1				Bioorg Med Chem Lett 20: 7137-41 (2010) Article DOI: 10.1016/j.bmcl.2010.09.023 BindingDB Entry DOI: 10.7270/Q29W0FQ5
					More data for this Ligand-Target Pair				3D Structure (crystal)
Carbonic anhydrase 1 (Homo sapiens (Human))	BDBM10870 (2-N-(4-aminobenzene)-1,3,4-thiadiazole-2,5-disulfo...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD 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
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant human carbonic anhydrase-1 by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Carbonic anhydrase (Sulfurihydrogenibium sp. (strain YO3AOP1))	BDBM10873 (4-[(2-aminopyrimidin-4-yl)amino]benzene-1-sulfonam...) Show SMILES Nc1nccc(Nc2ccc(cc2)S(N)(=O)=O)n1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	6.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Firenze Curated by ChEMBL					Assay Description Inhibition of recombinant Sulfurihydrogenibium yellowstonense YO3AOP1 carbonic anhydrase by stopped flow CO2 hydrase assay				Bioorg Med Chem Lett 26: 401-5 (2016) Article DOI: 10.1016/j.bmcl.2015.11.104 BindingDB Entry DOI: 10.7270/Q2DB83QG
Universit£ degli Studi di Firenze Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50491124 (CHEMBL2377267) Show SMILES CCN(CC)CCOC(=O)C(O)(C1CCCCC1)c1cccs1 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6.55	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Walter Reed Army Institute of Research Curated by ChEMBL					Assay Description Displacement of [3H] N-methylscopolamine from human muscarinic M3 receptor expressed in CHOK1 cells after 30 mins by scintillation counting analysis				Bioorg Med Chem 21: 2651-62 (2013) Article DOI: 10.1016/j.bmc.2013.01.072 BindingDB Entry DOI: 10.7270/Q2X92F6X
Walter Reed Army Institute of Research Curated by ChEMBL					More data for this Ligand-Target Pair

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