BDBM50180197 (2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H-purin-9-yl)-3,4-dihydroxy-N-methyltetrahydrothiophene-2-carboxamide::(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-2-chloro-9H-purin-9-yl)-3,4-dihydroxy-N-methyl-tetrahydrothiophene-2-carboxamide::CHEMBL200732
SMILES: CNC(=O)[C@H]1S[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
InChI Key: InChIKey=IRIUFVPPSHYZRM-PFHKOEEOSA-N
Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kcal/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Peroxisome proliferator-activated receptor delta (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia 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 |
Sahmyook University Curated by ChEMBL | Assay Description Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARdelta LBD by TR-FRET assay | J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor transfected in CHO cells | J Med Chem 49: 273-81 (2006) Article DOI: 10.1021/jm050595e BindingDB Entry DOI: 10.7270/Q2736QG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed CHO cells after 60 mins by gamma counting | Bioorg Med Chem 18: 7015-21 (2010) Article DOI: 10.1016/j.bmc.2010.08.018 BindingDB Entry DOI: 10.7270/Q21N81CV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [125I]AB-MECA from human adenosine A3 receptor expressed in CHO cells | J Med Chem 50: 3159-62 (2007) Article DOI: 10.1021/jm070259t BindingDB Entry DOI: 10.7270/Q2513XXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
Sahmyook University Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human A3 adenosine receptor expressed in CHO cell membranes after 60 mins by gamma counting method | J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
Ewha Womans University Curated by ChEMBL | Assay Description Binding affinity to human adenosine A3 receptor | Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]ABMECA from human adenosine A3 receptor expressed in CHO cells | Bioorg Med Chem Lett 18: 1612-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.070 BindingDB Entry DOI: 10.7270/Q2RN38QV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from human adenosine A3 receptor expressed in CHO cells | J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]I-AB-MECA from human recombinant adenosine A3 receptor expressed in CHO cells by liquid scintillation counting | Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A3 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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 |
Ewha Womans University Curated by ChEMBL | Assay Description Binding affinity to human adenosine A3 receptor | J Med Chem 55: 342-56 (2012) Article DOI: 10.1021/jm201229j BindingDB Entry DOI: 10.7270/Q2VQ334S | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a and A3 (Rattus norvegicus) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 0.820 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [125I]I-AB-MECA from rat adenosine A3 receptor expressed in CHO cells | J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 4.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sahmyook University Curated by ChEMBL | Assay Description Displacement of Fluormone-Pan-PPAR Green from human GST-tagged PPARgamma LBD by TR-FRET assay | J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]R-PIA from human adenosine A1 receptor expressed in CHO cells | Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]NECA from human recombinant adenosine A1 receptor expressed in CHO cells by liquid scintillation counting | Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells | J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor in CHO cells | J Med Chem 50: 3159-62 (2007) Article DOI: 10.1021/jm070259t BindingDB Entry DOI: 10.7270/Q2513XXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]R-PIA from human adenosine A1 receptor transfected in CHO cells | J Med Chem 49: 273-81 (2006) Article DOI: 10.1021/jm050595e BindingDB Entry DOI: 10.7270/Q2736QG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sahmyook University Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human A1 receptor expressed in CHO cell membranes after 60 mins by gamma counting method | J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A1 (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 193 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CCPA from human adenosine A1 receptor expressed in CHO cells | Bioorg Med Chem Lett 18: 1612-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.070 BindingDB Entry DOI: 10.7270/Q2RN38QV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human recombinant adenosine A2a receptor expressed in HEK293 cells by liquid scintillation counting | Bioorg Med Chem 17: 3733-8 (2009) Article DOI: 10.1016/j.bmc.2009.03.034 BindingDB Entry DOI: 10.7270/Q2V69JMJ | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in CHO cells | Bioorg Med Chem Lett 18: 1612-6 (2008) Article DOI: 10.1016/j.bmcl.2008.01.070 BindingDB Entry DOI: 10.7270/Q2RN38QV | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in HEK293 cells | J Med Chem 50: 3159-62 (2007) Article DOI: 10.1021/jm070259t BindingDB Entry DOI: 10.7270/Q2513XXX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Sahmyook University Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human A2A adenosine receptor expressed in HEK293 cell membranes after 60 mins by gamma counting method | J Med Chem 60: 7459-7475 (2017) Article DOI: 10.1021/acs.jmedchem.7b00805 BindingDB Entry DOI: 10.7270/Q2XK8HQH | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor transfected in HEK293 cells | J Med Chem 49: 273-81 (2006) Article DOI: 10.1021/jm050595e BindingDB Entry DOI: 10.7270/Q2736QG2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CGS21680 from human adenosine A2A receptor expressed in CHO cells | Bioorg Med Chem 17: 8003-11 (2009) Article DOI: 10.1016/j.bmc.2009.10.011 BindingDB Entry DOI: 10.7270/Q29K4B9Z | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Adenosine receptor A2a (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | 223 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Ewha Womans University Curated by ChEMBL | Assay Description Displacement of [3H]CGS-21680 from human adenosine A2A receptor expressed in HEK293 cells | J Med Chem 51: 6609-13 (2008) Article DOI: 10.1021/jm8008647 BindingDB Entry DOI: 10.7270/Q2XG9QZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 4.64E+3 | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Competitive binding affinity to GST-tagged human PPARgamma LBD incubated for 1 to 6 hrs by TR-FRET assay | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.67E+4 | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Antagonist activity at PPARdelta LBD (unknown origin) assessed as increase in recruitment of SMRT ID2 corepressor peptide by TR-FRET assay | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 41 | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Competitive binding affinity to GST-tagged human PPARdelta LBD incubated for 1 to 6 hrs by TR-FRET assay | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Peroxisome proliferator-activated receptor (Homo sapiens (Human)) | BDBM50180197 ((2S,3S,4R,5R)-5-(2-chloro-6-(3-iodobenzylamino)-9H...) | PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | n/a | n/a | 1.07E+4 | n/a | n/a | n/a | n/a |
Seoul National University Curated by ChEMBL | Assay Description Antagonist at PPARdelta LBD (unknown origin) assessed as increase in recruitment of coactivator peptide C33 cotreated with PPARdelta agonist GW501516... | Bioorg Med Chem 28: (2020) | |||||||||||
More data for this Ligand-Target Pair |