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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457611 (CHEMBL4214453) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 0.00200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457604 (CHEMBL4213229) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457612 (CHEMBL4218164) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457608 (CHEMBL4211505) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457610 (CHEMBL4207145) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50271367 (CHEMBL489454 | N-Methyl-N-(1,2,3,4-tetrahydroacrid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50271367 (CHEMBL489454 | N-Methyl-N-(1,2,3,4-tetrahydroacrid...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Inhibition of human acetylcholine esterase | ACS Med Chem Lett 4: 1178-82 (2013) Article DOI: 10.1021/ml4002908 BindingDB Entry DOI: 10.7270/Q2TQ6318 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50271556 (CHEMBL525622 | N,N,N-trimethyl-3-(2,2,2-trifluoroa...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of Torpedo californica AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457613 (CHEMBL4205056) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0450 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457603 (CHEMBL4217920) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457605 (CHEMBL4210992) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0500 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50005193 (CHEMBL3099496) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Inhibition of human butyrylcholine esterase | ACS Med Chem Lett 4: 1178-82 (2013) Article DOI: 10.1021/ml4002908 BindingDB Entry DOI: 10.7270/Q2TQ6318 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50149201 (3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | Article PubMed | 0.0770 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of Torpedo californica AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50271469 (CHEMBL507174 | N-Allyl-N-(1,2,3,4-tetrahydroacridi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457602 (CHEMBL4214741) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50265775 (CHEMBL462508 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0990 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry | J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50265375 (CHEMBL496531 | N-[4-[4-(2,3-Dichlorophenyl)piperaz...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.105 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry | J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50271470 (CHEMBL499224 | N-(2-Hydroxyethyl)-N-(1,2,3,4-tetra...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.119 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Tetronarce californica (Pacific electric ray) (Tor...) | BDBM50369748 (CHEMBL208599) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of Torpedo californica AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50271471 (1,4-bis[3-(1,2,3,4-Tetrahydroacridin-9-yl)aminopro...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.136 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50265445 (3-[5-[4-(2,3-Dichlorophenyl)piperazin-1-yl]pentylo...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.140 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry | J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Homo sapiens (Human)) | BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity to 5HT2A receptor (unknown origin) | J Med Chem 57: 9578-97 (2014) Article DOI: 10.1021/jm501119j BindingDB Entry DOI: 10.7270/Q2571DM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 2A (Rattus norvegicus (rat)) | BDBM50001885 ((risperidone)3-{2-[4-(6-Fluoro-benzo[d]isoxazol-3-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Patents Similars | Article PubMed | 0.150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Displacement of [3H]ketanserin from 5HT2A receptor in CRL:CD(SD)BR-COBS rat cortex by scintillation spectrometry | J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty-acid amide hydrolase 1 (Mus musculus (mouse)) | BDBM50395423 (CHEMBL2165084) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... | J Med Chem 55: 6898-915 (2012) Article DOI: 10.1021/jm300689c BindingDB Entry DOI: 10.7270/Q2ZK5HSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50271468 (CHEMBL490060 | N-Ethyl-N-(1,2,3,4-tetrahydroacridi...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.162 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Rattus norvegicus (Rat)) | BDBM50131925 (1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...) | KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Displacement of [3H]-7-OH-DPAT from rat brain membrane D3 receptor expressed in Sf9 cells incubated for 60 mins by liquid scintillation counting meth... | Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty-acid amide hydrolase 1 (Mus musculus (mouse)) | BDBM50395424 (CHEMBL2165083) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... | J Med Chem 55: 6898-915 (2012) Article DOI: 10.1021/jm300689c BindingDB Entry DOI: 10.7270/Q2ZK5HSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50131925 (1H-Indole-2-carboxylic acid {4-[4-(2,4-dichloro-ph...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry | J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50031465 (CHEMBL3358104) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity to dopamine D3 receptor (unknown origin) | J Med Chem 57: 9578-97 (2014) Article DOI: 10.1021/jm501119j BindingDB Entry DOI: 10.7270/Q2571DM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50271325 (CHEMBL451277 | N-{4-[(1,2,3,4-Tetrahydroacridin-9-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty-acid amide hydrolase 1 (Mus musculus (mouse)) | BDBM50528930 (CHEMBL4471658) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Inhibition of FAAH in mouse brain membranes assessed as inhibitory constant using [14C]-AEA as substrate incubated for 15 mins by scintillation count... | Eur J Med Chem 183: (2019) Article DOI: 10.1016/j.ejmech.2019.111674 BindingDB Entry DOI: 10.7270/Q2FR012J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM50005192 (CHEMBL3099497) | 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 | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Inhibition of human acetylcholine esterase | ACS Med Chem Lett 4: 1178-82 (2013) Article DOI: 10.1021/ml4002908 BindingDB Entry DOI: 10.7270/Q2TQ6318 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50042296 (CHEMBL3352906) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of recombinant BACE1 (unknown origin) | Bioorg Med Chem Lett 25: 668-72 (2015) Article DOI: 10.1016/j.bmcl.2014.11.087 BindingDB Entry DOI: 10.7270/Q2N58P0J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50265776 (CHEMBL461236 | N-[4-[4-(3-Chlorophenyl)piperazin-1...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry | J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50271323 (CHEMBL501587 | N-{4-[(1,2,3, 4-Tetrahydroacridin-9...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.270 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of human recombinant BuChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM16253 ((3,5-dimethyl-1H-pyrazol-1-yl)methyl N-[(1R)-1-{[(...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of recombinant BACE1 (unknown origin) | Bioorg Med Chem Lett 25: 668-72 (2015) Article DOI: 10.1016/j.bmcl.2014.11.087 BindingDB Entry DOI: 10.7270/Q2N58P0J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50031464 (CHEMBL3358105) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity to dopamine D3 receptor (unknown origin) | J Med Chem 57: 9578-97 (2014) Article DOI: 10.1021/jm501119j BindingDB Entry DOI: 10.7270/Q2571DM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50131930 (5-Chloro-1H-indole-2-carboxylic acid {4-[4-(2,4-di...) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Siena Curated by ChEMBL | Assay Description Displacement of [3H]7OH-DPAT from dopamine D3 receptor (unknown origin) expressed in Sf9 cells by scintillation spectrometry | J Med Chem 52: 151-69 (2009) Article DOI: 10.1021/jm800689g BindingDB Entry DOI: 10.7270/Q2J67GSD | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(3) dopamine receptor (Homo sapiens (Human)) | BDBM50031449 (CHEMBL3358493) | PDB UniProtKB/SwissProt 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 |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Binding affinity to dopamine D3 receptor (unknown origin) | J Med Chem 57: 9578-97 (2014) Article DOI: 10.1021/jm501119j BindingDB Entry DOI: 10.7270/Q2571DM0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Mus musculus (mouse)) | BDBM50149201 (3,8-DIAMINO-6-PHENYL-5-[6-[1-[2-[(1,2,3,4-TETRAHYD...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid PDB UniChem Similars | PDB Article PubMed | 0.410 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Binding affinity to mouse AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Cholinesterase (Homo sapiens (Human)) | BDBM50271468 (CHEMBL490060 | N-Ethyl-N-(1,2,3,4-tetrahydroacridi...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.435 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of human recombinant BuChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (RAT) | BDBM50060685 (9-Fluoro-4-(4-methyl-piperazin-1-yl)-pyrrolo[1,2-a...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development Curated by ChEMBL | Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457606 (CHEMBL4215950) | PDB UniProtKB/TrEMBL B.MOAD 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 |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cholinesterase (Mus musculus (Mouse)) | BDBM50377920 (CHEMBL540657) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of mouse BuChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
5-hydroxytryptamine receptor 3A (RAT) | BDBM50299661 (9-methyl-4-(4-((3H-imidazol-4-yl)methyl)piperazin-...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
European Research Centre for Drug Discovery and Development Curated by ChEMBL | Assay Description Displacement of [3H]LY278584 from 5HT3 receptor in rat cortical homogenate | J Med Chem 52: 6946-50 (2009) Article DOI: 10.1021/jm901126m BindingDB Entry DOI: 10.7270/Q2H9963M | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty-acid amide hydrolase 1 (Mus musculus (mouse)) | BDBM50395421 (CHEMBL2165094) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... | J Med Chem 55: 6898-915 (2012) Article DOI: 10.1021/jm300689c BindingDB Entry DOI: 10.7270/Q2ZK5HSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50457609 (CHEMBL4218875) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Inhibition of wild type HIV-1 NL4-3 protease expressed in Escherichia coli Rosetta (DE3)pLysS using Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fl... | J Med Chem 61: 4561-4577 (2018) Article DOI: 10.1021/acs.jmedchem.8b00298 BindingDB Entry DOI: 10.7270/Q2445Q35 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Fatty-acid amide hydrolase 1 (Mus musculus (mouse)) | BDBM50395420 (CHEMBL2165070) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ degli Studi di Siena Curated by ChEMBL | Assay Description Inhibition of mouse FAAH isolated from brain homogenate using [3H-ethanolamine]AEA as substrate incubated for 20 mins prior to substrate addition mea... | J Med Chem 55: 6898-915 (2012) Article DOI: 10.1021/jm300689c BindingDB Entry DOI: 10.7270/Q2ZK5HSK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Acetylcholinesterase (Homo sapiens (Human)) | BDBM8965 (CHEMBL338755 | Tacrine Dimer 4a | methylbis[3-(1,2...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Siena Curated by ChEMBL | Assay Description Inhibition of human recombinant AChE | J Med Chem 51: 3154-70 (2008) Article DOI: 10.1021/jm701253t BindingDB Entry DOI: 10.7270/Q22Z16D4 | |||||||||||
More data for this Ligand-Target Pair |
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