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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat)) | BDBM50114773 (5-(Azetidin-2-ylmethoxy)-2-chloro-3-(2-pyridin-4-y...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.00900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Binding affinity for nAChR with [3H]-imidacloprid in Drosophila | J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat)) | BDBM50049757 (()-2-(6-Chloro-pyridin-3-yl)-7-aza-bicyclo[2.2.1]h...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid PDB UniChem Patents Similars | PubMed | 0.0100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Binding affinity for nAChR with [3H]-imidacloprid in Myzus persicae | J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat)) | BDBM50114771 (2-Chloro-3-(2-pyridin-4-yl-ethyl)-5-(pyrrolidin-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes | J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT | |||||||||||
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 | |||||||||||||
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) | ||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat)) | BDBM50114774 (2-Chloro-3-(2-pyridin-4-yl-vinyl)-5-(pyrrolidin-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0150 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Binding affinity for nAChR with [3H]-imidacloprid in Drosophila | J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM8125 ((3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl N-[(2S...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars | PDB Article PubMed | 0.0160 | -61.6 | n/a | n/a | 1.60 | 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 | 3D Structure (crystal) | ||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35984 (cyclic compound, 15d) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0170 | n/a | n/a | n/a | 14 | n/a | n/a | n/a | n/a |
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 | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat)) | BDBM50114768 (2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes | J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat)) | BDBM50114769 (2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Binding affinity for nAChR with [3H]-imidacloprid in Myzus persicae | J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat)) | BDBM50114767 (2-Chloro-3-(2-pyridin-3-yl-vinyl)-5-(pyrrolidin-2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Binding affinity for nAChR with [3H]-imidacloprid in Drosophila | J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (BtCoV) | BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PDB UniChem | WIPO WO2021205298 | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV... | Citation and Details BindingDB Entry DOI: 10.7270/Q232001P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (BtCoV) | BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PDB UniChem | WIPO WO2021205298 | 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV... | Citation and Details BindingDB Entry DOI: 10.7270/Q232001P | |||||||||||
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 | 0.0450 | -59.1 | n/a | n/a | 2 | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35974 (cyclic compound, 14g) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0510 | -58.7 | n/a | n/a | 15 | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35970 (cyclic compound, 14d) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0580 | -58.4 | n/a | n/a | 14 | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35982 (cyclic compound, 14c-E) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid PDB UniChem Similars | Article PubMed | 0.0600 | -58.3 | n/a | n/a | 7 | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35996 (cyclic compound, 22c) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0700 | n/a | n/a | n/a | 170 | n/a | n/a | n/a | n/a |
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 | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat)) | BDBM50114775 (2-Chloro-5-(1-methyl-azetidin-2-ylmethoxy)-3-(2-py...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0720 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Molar concentration required to inhibit 50% of the activating delayed-rectifier K+ current in isolated guinea pig ventricularmyocytes | J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35972 (cyclic compound, 14f) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0770 | -57.7 | n/a | n/a | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35971 (cyclic compound, 14e) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0800 | -57.6 | n/a | n/a | 23 | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35966 (E/Z ratio 1:4 | cyclic compound, 14b) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0820 | -57.6 | n/a | n/a | 4 | 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 | |||||||||||||
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat)) | BDBM50114778 (2-Chloro-5-(1-methyl-pyrrolidin-2-ylmethoxy)-3-(2-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | 0.0880 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institute on Drug Abuse Curated by ChEMBL | Assay Description Binding affinity for nAChR with [3H]-imidacloprid in Myzus persicae | J Med Chem 45: 2841-9 (2002) BindingDB Entry DOI: 10.7270/Q2FN15JT | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35975 (cyclic compound, 15g) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.0900 | -57.3 | n/a | n/a | 5.5 | 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 | |||||||||||||
Cannabinoid receptor 2 (MOUSE) | BDBM50532777 (CHEMBL4470925) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method | J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method | J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (MOUSE) | BDBM50532777 (CHEMBL4470925) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method | J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Replicase polyprotein 1ab (Feline coronavirus (strain FIPV WSU-79/1146) (FCoV...) | BDBM420298 (CVD-0006356 | PF-00835231 | PF-0835231 | US1152494...) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | Purchase MCE PDB UniChem | WIPO WO2021205298 | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Proteolytic activity of SARS-CoV-2 Coronavirus 3CL protease is measured using a continuous fluorescence resonance energy transfer assay. The SARS-CoV... | Citation and Details BindingDB Entry DOI: 10.7270/Q232001P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35963 (acyclic compound, 13h) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.100 | -57.1 | n/a | n/a | n/a | 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 | |||||||||||||
Cannabinoid receptor 2 (MOUSE) | BDBM50233601 (CHEMBL4062745) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Displacement of [3H]CP-55,940 from mouse CB2 receptor expressed in HEK293 cells by scintillation counting method | J Med Chem 58: 665-81 (2015) Article DOI: 10.1021/jm501165d BindingDB Entry DOI: 10.7270/Q2K076HR | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 1 (Rattus norvegicus (rat)) | BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from CB1 receptor in rat brain membranes by scintillation counting method | J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Beta-secretase 1 (Homo sapiens (Human)) | BDBM50231938 ((2,5-dimethyloxazol-4-yl)methyl (R)-1-((4S,5S,7R)-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Purdue University Curated by ChEMBL | Assay Description Binding affinity to recombinant memapsin 2 | Bioorg Med Chem Lett 18: 1031-6 (2008) Article DOI: 10.1016/j.bmcl.2007.12.028 BindingDB Entry DOI: 10.7270/Q2513XZC | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35973 (cyclic compound, 15f) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.150 | -56.1 | n/a | n/a | 95 | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35995 (cyclic compound, 21c) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.150 | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
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 | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50586108 (CHEMBL5094608) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00087 BindingDB Entry DOI: 10.7270/Q21Z489F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35964 (E/Z ratio 3:1 | cyclic compound, 14a | cyclic comp...) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.160 | -55.9 | n/a | n/a | >1.00E+3 | 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 | |||||||||||||
Dimer of Gag-Pol polyprotein [501-599,Q508K,L534I,L564I,C568A,C596A] (Human immunodeficiency virus type 1) | BDBM35980 (cyclic compound, 14b-E) | PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem Similars | Article PubMed | 0.180 | -55.6 | n/a | n/a | 6.60 | 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 | |||||||||||||
Cannabinoid receptor 2 (MOUSE) | BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Binding affinity to mouse CB2 receptor | J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50586137 (CHEMBL5085590) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00087 BindingDB Entry DOI: 10.7270/Q21Z489F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (MOUSE) | BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method | J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting method | J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (MOUSE) | BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from mouse CB2 receptor expressed in HEK293 cell membranes by scintillation counting method | J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (MOUSE) | BDBM50067499 ((6aR,10aR)-3(1,1-dimethylheptyl)-9-hydroxymethyl)-...) | PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Binding affinity to mouse CB2 receptor | J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Cannabinoid receptor 2 (Homo sapiens (Human)) | BDBM50532778 (CHEMBL4465566 | US10882838, Example 3.6) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Northeastern University Curated by ChEMBL | Assay Description Displacement of [3H]CP55940 from human CB2 receptor expressed in HEK293 cell membranes by scintillation counting method | J Med Chem 59: 6903-19 (2016) Article DOI: 10.1021/acs.jmedchem.6b00717 BindingDB Entry DOI: 10.7270/Q2RV0S68 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50586128 (CHEMBL5089829) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00087 BindingDB Entry DOI: 10.7270/Q21Z489F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50586139 (CHEMBL5092405) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00087 BindingDB Entry DOI: 10.7270/Q21Z489F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50586126 (CHEMBL5081715) | PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00087 BindingDB Entry DOI: 10.7270/Q21Z489F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50586139 (CHEMBL5092405) | PDB UniProtKB/SwissProt GoogleScholar AffyNet | PC cid PC sid UniChem | Article PubMed | 0.220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA | Assay Description Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5... | Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00087 BindingDB Entry DOI: 10.7270/Q21Z489F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Mu-type opioid receptor (MOUSE) | BDBM50586120 (CHEMBL5085221) | PDB Reactome pathway 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 |
TBA | Assay Description Displacement of [3H]-naloxone from mouse mu opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5 hrs by ... | Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00087 BindingDB Entry DOI: 10.7270/Q21Z489F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Kappa-type opioid receptor (Mus musculus (Mouse)) | BDBM50586133 (CHEMBL5076910) | PDB UniProtKB/SwissProt 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 |
TBA | Assay Description Displacement of [3H]-diprenorphine from mouse kappa opioid receptor expressed in CHO cell membranes assessed as inhibition constant incubated for 1.5... | Citation and Details Article DOI: 10.1021/acs.jmedchem.2c00087 BindingDB Entry DOI: 10.7270/Q21Z489F | |||||||||||
More data for this Ligand-Target Pair |
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