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 |
---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human)) | BDBM50396691 (CHEMBL449572 | US9271961, Jasmonic acid) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem | Article PubMed | 1.80E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant AKR1C2 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C4 (Homo sapiens (Human)) | BDBM50396691 (CHEMBL449572 | US9271961, Jasmonic acid) | PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem | Article PubMed | 3.70E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant AKR1C4 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human)) | BDBM50396691 (CHEMBL449572 | US9271961, Jasmonic acid) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem | Article PubMed | 1.06E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant AKR1C1 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396691 (CHEMBL449572 | US9271961, Jasmonic acid) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem | Article PubMed | 1.62E+5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant AKR1C3 expressed in Escherichia coli BL21(DE3) using phenanthrenequinone as substrate by spectrophotometric analysis | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200622 (CHEMBL3917975) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem | PDB Article PubMed | n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200579 (CHEMBL3917466) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200572 (CHEMBL3889955) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200569 (CHEMBL3946146) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human)) | BDBM50335684 (4-FLUORO-2-(4-{[(3S,4R)-4-(1-HYDROXY-1-METHYLETHYL...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE MMDB PC cid PC sid PDB UniChem Patents Similars | MMDB PDB Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CHK2 by DELFIA assay | J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50446016 (CHEMBL3103330) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs | Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200624 (CHEMBL3912114) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200582 (CHEMBL3944813) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50187693 (CHEMBL3186509) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 3 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) | ||||||||||||
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50096734 ((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ... | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50096730 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio... | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50096726 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50096729 ((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Benzylaminooxaly...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human)) | BDBM50335683 (4-fluoro-2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyr...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CHK2 by DELFIA assay | J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200650 (CHEMBL3926932) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200664 (CHEMBL3983022) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 5 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200666 (CHEMBL3916898) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50096727 ((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 6 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio... | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396653 (CHEMBL2172122) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50096725 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Inhibitory activity against delta receptor of (endomorphin 2) in mouse vas deferens was determined | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50096728 ((S)-4-((S)-1-{(S)-1-[(S)-1-((S)-1-Amino-2-carbamoy...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ... | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50096733 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Binding affinity towards 5-hydroxytryptamine 3 receptor | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50096732 (4-[3-Carboxy-2-(3-carboxy-propionylamino)-propiony...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 with a Y181C mutation in RT (reverse ... | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human)) | BDBM50335687 (2-(4-((3S,4R)-4-(2-hydroxypropan-2-yl)pyrrolidin-3...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CHK2 by DELFIA assay | J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200578 (CHEMBL3982059) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396661 (CHEMBL2172110) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.60 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396695 (CHEMBL2172121) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.70 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396694 (CHEMBL2172112) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 8.90 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human)) | BDBM50335662 ((S)-4-(1H-pyrazol-3-yl)-2-(4-(pyrrolidin-3-ylamino...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL MMDB PC cid PC sid UniChem Patents Similars | MMDB Article PubMed | n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CHK2 by DELFIA assay | J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396693 (CHEMBL2172067) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem | Article PubMed | n/a | n/a | 9.5 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50446017 (CHEMBL3103349) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs | Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200651 (CHEMBL3964183) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200651 (CHEMBL3964183) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Ectonucleotide pyrophosphatase/phosphodiesterase family member 2 (Homo sapiens (Human)) | BDBM50200580 (CHEMBL3907343) | PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Babraham Research Campus Curated by ChEMBL | Assay Description Inhibition of human recombinant ATX using Rac-1-Palmitoyl-glycero-3-phosphocholine as substrate incubated for 2 hrs using ADHP fluorogenic peroxidase... | Bioorg Med Chem Lett 26: 5403-5410 (2016) Article DOI: 10.1016/j.bmcl.2016.10.036 BindingDB Entry DOI: 10.7270/Q2DJ5HM1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human)) | BDBM50335681 ((S)-4-fluoro-2-(7-(2-methoxyethoxy)-4-(pyrrolidin-...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CHK2 by DELFIA assay | J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human)) | BDBM50335685 (4-fluoro-2-(4-((3S,4R)-4-(hydroxymethyl)pyrrolidin...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CHK2 by DELFIA assay | J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396658 (CHEMBL2172114) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50430719 (CHEMBL2333522) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of recombinant AKR1C3 (unknown origin) overexpressed in human HCT116 cells assessed as inhibition of aerobic reduction of dinitrobenzamide... | Eur J Med Chem 62: 738-44 (2013) Article DOI: 10.1016/j.ejmech.2013.01.047 BindingDB Entry DOI: 10.7270/Q2H133CX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein (Hepatitis C virus) | BDBM50109999 ((S)-4-[(S)-3-Carboxy-2-(3-carboxy-propionylamino)-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discovery Welwyn Curated by ChEMBL | Assay Description Inhibitory concentration of the compound against Hepatitis C virus NS3 proteinase | Bioorg Med Chem Lett 12: 641-3 (2002) BindingDB Entry DOI: 10.7270/Q2SN089N | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Genome polyprotein/Non-structural protein 4A (Hepatitis C virus) | BDBM50096724 ((S)-4-((S)-1-{(S)-1-[(S)-1-((R)-1-Aminooxalyl-pent...) | PDB UniProtKB/TrEMBL GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Discover Welwyn Curated by ChEMBL | Assay Description Inhibitory activity against non-nucleoside reverse transcriptase inhibitors (NNRTI) -resistant HIV-1 strain A17 variant with Y181C plus K103N mutatio... | Bioorg Med Chem Lett 11: 355-7 (2001) BindingDB Entry DOI: 10.7270/Q2WQ0322 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396659 (CHEMBL2172113) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Serine/threonine-protein kinase Chk2 (Homo sapiens (Human)) | BDBM50335680 ((S)-2-(6,7-dimethoxy-4-(pyrrolidin-3-ylamino)quina...) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Cancer Research Curated by ChEMBL | Assay Description Inhibition of CHK2 by DELFIA assay | J Med Chem 54: 580-90 (2011) Article DOI: 10.1021/jm101150b BindingDB Entry DOI: 10.7270/Q2DF6RHX | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396692 (CHEMBL2172087) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of human recombinant N-terminal His6-tagged AKR1C3 expressed in Escherichia coli BL21(DE3) cells using 8-Acetyl-2,3,5,6-tetrahydro-1H,4H-1... | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396653 (CHEMBL2172122) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of AKR1C3 overexpressed in human HCT116 cells assessed as inhibition of PR-104A conversion to hydroxylamine after 2 hrs by spectrophotomet... | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50446018 (CHEMBL3103348) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL PC cid PC sid UniChem Similars | Article PubMed | n/a | n/a | 12 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of AKR1C3 (unknown origin) expressed in human HCT116 cells assessed as formation of PR-104H from PR-104A preincubated for 2 hrs | Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Aldo-keto reductase family 1 member C3 (Homo sapiens (Human)) | BDBM50396704 (CHEMBL2172072) | PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | Purchase CHEMBL MMDB PC cid PC sid PDB UniChem Similars | PDB Article PubMed | n/a | n/a | 13 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Auckland Curated by ChEMBL | Assay Description Inhibition of AKR1C3 overexpressed in human HCT116 cells assessed as inhibition of PR-104A conversion to hydroxylamine after 2 hrs by spectrophotomet... | J Med Chem 55: 7746-58 (2012) Article DOI: 10.1021/jm3007867 BindingDB Entry DOI: 10.7270/Q28K7B6F | |||||||||||
More data for this Ligand-Target Pair | 3D Structure (crystal) |
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