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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
5-hydroxytryptamine receptor 1A (Rattus norvegicus (rat)) | BDBM50346374 (3-(2-(4-(naphthalen-1-yl)piperazin-1-yl)ethyl)benz...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | 0.000178 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Napoli Federico II Curated by ChEMBL | Assay Description Displacement of [3H]8-OH-DPAT from 5HT1A receptor in Sprague-Dawley rat brain cortex homogenates after 30 mins by liquid scintillation counting | Eur J Med Chem 46: 2206-16 (2011) Article DOI: 10.1016/j.ejmech.2011.03.001 BindingDB Entry DOI: 10.7270/Q2M32W4J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50469417 (CHEMBL4293023) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 0.00120 | 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 HIV1 wild type NL4-3 protease expressed in Escherichia coli Rosetta (DE3) pLysS using Abz-Thr-Ile-Nle-Phe-(pNO2)-Gln-Arg-NH2 as substra... | J Med Chem 61: 9722-9737 (2018) Article DOI: 10.1021/acs.jmedchem.8b01227 BindingDB Entry DOI: 10.7270/Q25T3P6J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498523 (CHEMBL3605643) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 0.00150 | 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 HIV1 protease | J Med Chem 58: 6994-7006 (2015) Article DOI: 10.1021/acs.jmedchem.5b00900 BindingDB Entry DOI: 10.7270/Q2862KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50484842 (CHEMBL1958482 | GRL-0249A) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 0.00180 | 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 HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay | Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50528147 (CHEMBL4514504) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid 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 HIV-1 protease | J Med Chem 63: 4867-4879 (2020) Article DOI: 10.1021/acs.jmedchem.0c00202 BindingDB Entry DOI: 10.7270/Q20V8H82 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
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)) | BDBM50528152 (CHEMBL4532946) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid 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 HIV-1 protease | J Med Chem 63: 4867-4879 (2020) Article DOI: 10.1021/acs.jmedchem.0c00202 BindingDB Entry DOI: 10.7270/Q20V8H82 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498524 (CHEMBL3605638) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00390 | 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 HIV1 protease | J Med Chem 58: 6994-7006 (2015) Article DOI: 10.1021/acs.jmedchem.5b00900 BindingDB Entry DOI: 10.7270/Q2862KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50484847 (CHEMBL1958483 | GRL-0289A) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00400 | 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 HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay | Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X | |||||||||||
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)) | BDBM50484190 (CHEMBL1817686) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB 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 Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu... | J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat)) | BDBM50295955 (5-(((S)-Pyrrolidin-2-yl)methoxy)-3-((6-chloropyrid...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.00560 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins University School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nicotinic receptor expressed in human HEK293 cells by liquid scintillation counting | Bioorg Med Chem 17: 4367-77 (2009) Article DOI: 10.1016/j.bmc.2009.05.021 BindingDB Entry DOI: 10.7270/Q2DN453T | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50489369 (CHEMBL1232930 | GRL-0519) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 0.00600 | 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 HIV1 protease | J Med Chem 56: 6792-802 (2013) Article DOI: 10.1021/jm400768f BindingDB Entry DOI: 10.7270/Q2K07764 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50484193 (CHEMBL1819294) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00600 | 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 Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu... | J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50484191 (CHEMBL1819295) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00600 | 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 Human immunodeficiency virus 1 protease assessed as release of fluorescent N-terminal tripeptide using fluorogenic substrate by continu... | J Med Chem 54: 5890-901 (2011) Article DOI: 10.1021/jm200649p BindingDB Entry DOI: 10.7270/Q2DB84QW | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50528144 (CHEMBL4435411) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00600 | 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 HIV-1 protease | J Med Chem 63: 4867-4879 (2020) Article DOI: 10.1021/acs.jmedchem.0c00202 BindingDB Entry DOI: 10.7270/Q20V8H82 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498534 (CHEMBL3605635) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00630 | 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 HIV1 protease | J Med Chem 58: 6994-7006 (2015) Article DOI: 10.1021/acs.jmedchem.5b00900 BindingDB Entry DOI: 10.7270/Q2862KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50528145 (CHEMBL4586218) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00700 | 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 HIV-1 protease | J Med Chem 63: 4867-4879 (2020) Article DOI: 10.1021/acs.jmedchem.0c00202 BindingDB Entry DOI: 10.7270/Q20V8H82 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50484845 (CHEMBL1958480) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00740 | 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 HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay | Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50484841 (CHEMBL1958481) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.00750 | 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 HIV1 protease using hexapeptide Ac-Thr-Ile-Nle-Nle-Gln-Arg-NH2 as substrate by fluorimetric assay | Bioorg Med Chem Lett 22: 2308-11 (2012) Article DOI: 10.1016/j.bmcl.2012.01.061 BindingDB Entry DOI: 10.7270/Q2B85C0X | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50528150 (CHEMBL4449179) | 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 HIV-1 protease | J Med Chem 63: 4867-4879 (2020) Article DOI: 10.1021/acs.jmedchem.0c00202 BindingDB Entry DOI: 10.7270/Q20V8H82 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50520752 (CHEMBL4474261) | 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 HIV1 protease using fluorogenic substrate by continuous fluorometric assay | Eur J Med Chem 160: 171-182 (2018) Article DOI: 10.1016/j.ejmech.2018.09.046 BindingDB Entry DOI: 10.7270/Q2320098 | |||||||||||
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)) | BDBM50528154 (CHEMBL4545005) | 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 HIV-1 protease | J Med Chem 63: 4867-4879 (2020) Article DOI: 10.1021/acs.jmedchem.0c00202 BindingDB Entry DOI: 10.7270/Q20V8H82 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50154364 ((6R,10bS)-6-(4-Methylsulfanyl-phenyl)-1,2,3,5,6,10...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells | J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat)) | BDBM50263171 ((+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methy...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498528 (CHEMBL3605644) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem | Article PubMed | 0.00990 | 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 HIV1 protease | J Med Chem 58: 6994-7006 (2015) Article DOI: 10.1021/acs.jmedchem.5b00900 BindingDB Entry DOI: 10.7270/Q2862KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Binding affinity for serotonin transporter expresed in LCK PK1 cells | J Med Chem 47: 5258-64 (2004) Article DOI: 10.1021/jm049917p BindingDB Entry DOI: 10.7270/Q2QJ7GRZ | |||||||||||
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 | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Inhibition of [125I]IPT uptake at SERT (unknown origin) expressed in LLC-PK1 cell membranes | Bioorg Med Chem Lett 23: 869-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.043 BindingDB Entry DOI: 10.7270/Q2V989DM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50493304 (CHEMBL2426453) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB 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 HIV1 LAI protease by fluorescence assay | J Med Chem 56: 6792-802 (2013) Article DOI: 10.1021/jm400768f BindingDB Entry DOI: 10.7270/Q2K07764 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Alpha-1A adrenergic receptor (Homo sapiens (Human)) | BDBM50082842 (4-(3,4-Difluoro-phenyl)-6-methyl-3-{3-[4-(2-nitro-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Synaptic Pharmaceutical Corporation Curated by ChEMBL | Assay Description In vitro binding affinity against Alpha-1A adrenergic receptor of human liver microsomes. | J Med Chem 42: 4794-803 (1999) BindingDB Entry DOI: 10.7270/Q25B01P0 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM81987 (CHEMBL116048 | McN-5652-15) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description In vitro binding affinity of the compound against Serotonin transporter (SERT) from LLC-PK1 cell membranes. | J Med Chem 42: 333-5 (1999) Article DOI: 10.1021/jm9806751 BindingDB Entry DOI: 10.7270/Q2TX3DJN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4 (Rattus norvegicus (Rat)) | BDBM50263171 ((+)-2-(6'-[18F]fluoro-3,3'-bipyridin-5-yl)-7-methy...) | PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha4beta2 nAChR expressed in HEK293 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
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 | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35968 (cyclic compound, 14c | cyclic compound, 14c-Z) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0120 | -62.3 | n/a | n/a | 4.60 | n/a | n/a | 6.4 | 25 |
Purdue University | Assay Description The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar... | J Med Chem 52: 7689-705 (2009) Article DOI: 10.1021/jm900695w BindingDB Entry DOI: 10.7270/Q2G44NN7 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498531 (CHEMBL3605642) | 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 HIV1 protease | J Med Chem 58: 6994-7006 (2015) Article DOI: 10.1021/acs.jmedchem.5b00900 BindingDB Entry DOI: 10.7270/Q2862KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498326 (CHEMBL3581674) | 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 HIV1 protease | J Med Chem 58: 5334-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00676 BindingDB Entry DOI: 10.7270/Q2KK9FT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Homo sapiens (Human)) | BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) | PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Binding affinity to SERT (unknown origin) | Bioorg Med Chem Lett 23: 869-72 (2013) Article DOI: 10.1016/j.bmcl.2012.11.043 BindingDB Entry DOI: 10.7270/Q2V989DM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Sodium-dependent serotonin transporter (Rattus norvegicus (rat)) | BDBM50110577 (2-(2-((dimethylamino)methyl)phenylthio)-5-iodoanil...) | PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | PubMed | 0.0130 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description In vitro binding affinity of the compound in LLC-PK1 cells by SERT binding assay by using [125I]-IDAM as a radioligand | J Med Chem 45: 4716-23 (2002) BindingDB Entry DOI: 10.7270/Q23N22RJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM9236 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | KEGG MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | 0.0140 | -62.0 | n/a | n/a | 1.20 | n/a | n/a | 6.4 | 25 |
Purdue University | Assay Description The Ki values were determined by substrate cleavage assay using fluorogenic substrate, 2-(aminobenzoyl)-Thr-Ile-Nle-Phe(p-NO2)-Gln-Arg-NH2. A standar... | J Med Chem 52: 7689-705 (2009) Article DOI: 10.1021/jm900695w BindingDB Entry DOI: 10.7270/Q2G44NN7 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498324 (CHEMBL3581666) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0140 | 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 HIV1 protease | J Med Chem 58: 5334-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00676 BindingDB Entry DOI: 10.7270/Q2KK9FT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498530 (CHEMBL3605637) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0140 | 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 HIV1 protease | J Med Chem 58: 6994-7006 (2015) Article DOI: 10.1021/acs.jmedchem.5b00900 BindingDB Entry DOI: 10.7270/Q2862KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498527 (CHEMBL3605640) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0140 | 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 HIV1 protease | J Med Chem 58: 6994-7006 (2015) Article DOI: 10.1021/acs.jmedchem.5b00900 BindingDB Entry DOI: 10.7270/Q2862KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498526 (CHEMBL3605636) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0140 | 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 HIV1 protease | J Med Chem 58: 6994-7006 (2015) Article DOI: 10.1021/acs.jmedchem.5b00900 BindingDB Entry DOI: 10.7270/Q2862KFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50498327 (CHEMBL3581664) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.0140 | 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 HIV1 protease | J Med Chem 58: 5334-43 (2015) Article DOI: 10.1021/acs.jmedchem.5b00676 BindingDB Entry DOI: 10.7270/Q2KK9FT9 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-2 (Rattus norvegicus (Rat)) | BDBM50263095 ((+)-7-Methyl-2-exo-[3'-(2-fluoropyridin-4-yl)-5'-p...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Johns Hopkins UniVersity School of Medicine Curated by ChEMBL | Assay Description Displacement of [3H]epibatidine from rat alpha2beta2 nAChR expressed in HEK293 cells | J Med Chem 51: 4751-64 (2008) Article DOI: 10.1021/jm800323d BindingDB Entry DOI: 10.7270/Q23N249J | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
D(2) dopamine receptor (Rattus norvegicus (rat)) | BDBM21397 (8-[4-(4-fluorophenyl)-4-keto-butyl]-1-phenyl-1,3,8...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars | PubMed | 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Pennsylvania Curated by ChEMBL | Assay Description Competitive binding assay against Dopamine receptor D2 in rat striatal membranes and [125I]-IBF radioligand | J Med Chem 33: 171-8 (1990) BindingDB Entry DOI: 10.7270/Q2280860 | |||||||||||
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 HIV1 wild type NL4-3 protease expressed in Escherichia coli Rosetta (DE3) pLysS using Abz-Thr-Ile-Nle-Phe-(pNO2)-Gln-Arg-NH2 as substra... | J Med Chem 61: 9722-9737 (2018) Article DOI: 10.1021/acs.jmedchem.8b01227 BindingDB Entry DOI: 10.7270/Q25T3P6J | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Protease (Human immunodeficiency virus 1 (HIV-1)) | BDBM50469413 (CHEMBL4286231) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | 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 HIV1 wild type NL4-3 protease expressed in Escherichia coli Rosetta (DE3) pLysS using Abz-Thr-Ile-Nle-Phe-(pNO2)-Gln-Arg-NH2 as substra... | J Med Chem 61: 9722-9737 (2018) Article DOI: 10.1021/acs.jmedchem.8b01227 BindingDB Entry DOI: 10.7270/Q25T3P6J | |||||||||||
More data for this Ligand-Target Pair |
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