BDBM23399 4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-dioxobutanoic acid::CHEMBL421353::CHEMBL50605::L-731988
SMILES: OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1
InChI Key: InChIKey=PJIBKQJSMPMZCH-UHFFFAOYSA-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 |
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Carbonic anhydrase 2 (Homo sapiens (Human)) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 2.65E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari Curated by ChEMBL | Assay Description Inhibition of human CA2 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique | Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 1 (Homo sapiens (Human)) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 5.07E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari Curated by ChEMBL | Assay Description Inhibition of human CA1 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique | Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 9 (Homo sapiens (Human)) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 6.93E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari Curated by ChEMBL | Assay Description Inhibition of human CA9 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique | Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Carbonic anhydrase 12 (Homo sapiens (Human)) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | 7.94E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari Curated by ChEMBL | Assay Description Inhibition of human CA12 using CO2 as substrate incubated for 6 hrs prior to substrate addition measured for 10 to 100 secs by stopped flow technique | Bioorg Med Chem Lett 22: 5801-6 (2012) Article DOI: 10.1016/j.bmcl.2012.07.094 BindingDB Entry DOI: 10.7270/Q2319X0G | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | PubMed | n/a | n/a | 170 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Curated by ChEMBL | Assay Description Inhibition of recombinant HIV-1 Integrase in strand transfer enzyme assay. | J Med Chem 43: 4923-6 (2001) BindingDB Entry DOI: 10.7270/Q2930SFS | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Hepatitis C virus NS5B RNA-dependent RNA polymerase (Hepatitis C virus) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 9.30E+4 | n/a | n/a | n/a | n/a | 7.5 | n/a |
University of Rome La Sapienza Curated by ChEMBL | Assay Description Inhibitory concentration against NS5B HCV polymerase using [alpha-32P]UTP as radioligand (30 degree C for 2 h, at pH 7.5 with Tris-HCl buffer) | J Med Chem 48: 6304-14 (2005) Article DOI: 10.1021/jm0504454 BindingDB Entry DOI: 10.7270/Q2T43SNM | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Messina Curated by ChEMBL | Assay Description Strand transfer inhibitory activity against HIV-1 integrase | J Med Chem 48: 7084-8 (2005) Article DOI: 10.1021/jm050549e BindingDB Entry DOI: 10.7270/Q27W6BR1 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase 3' processing activity | J Med Chem 49: 4248-60 (2006) Article DOI: 10.1021/jm060193m BindingDB Entry DOI: 10.7270/Q2T15384 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Università di Sassari Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase strand transfer activity | J Med Chem 49: 4248-60 (2006) Article DOI: 10.1021/jm060193m BindingDB Entry DOI: 10.7270/Q2T15384 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 HXB2 integrase using 32P-labelled oligonucleotide as substrate after 1 hr by phosphorimager analysis | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Reverse transcriptase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 5.40E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 recombinant RT-associted RNase H activity expressed in Escherichia coli M15 using poly(dC)-[3H]poly(rG) hybrid as substrate | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 57 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Roma Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase strand transfer activity by gel-based assay | J Med Chem 58: 1915-28 (2015) Article DOI: 10.1021/jm501799k BindingDB Entry DOI: 10.7270/Q2QJ7JZG | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 126 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Houston Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 integrase | Bioorg Med Chem Lett 14: 1447-54 (2004) Article DOI: 10.1016/j.bmcl.2004.01.027 BindingDB Entry DOI: 10.7270/Q2B858PN | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of HIV1 recombinant integrase | Bioorg Med Chem Lett 16: 2920-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.010 BindingDB Entry DOI: 10.7270/Q2BV7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Bristol-Myers Squibb Curated by ChEMBL | Assay Description Inhibition of HIV integrase | Bioorg Med Chem Lett 16: 2920-4 (2006) Article DOI: 10.1016/j.bmcl.2006.03.010 BindingDB Entry DOI: 10.7270/Q2BV7HDK | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 integrase. | Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.50E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase 3' processing activity by PAGE | Bioorg Med Chem 17: 2925-35 (2009) Article DOI: 10.1016/j.bmc.2008.10.088 BindingDB Entry DOI: 10.7270/Q2D50QS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 540 | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari Curated by ChEMBL | Assay Description Inhibition of HIV1 integrase strand transfer activity by PAGE | Bioorg Med Chem 17: 2925-35 (2009) Article DOI: 10.1016/j.bmc.2008.10.088 BindingDB Entry DOI: 10.7270/Q2D50QS2 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Fondazione Cenci BolognettiUniversit£ di Roma Curated by ChEMBL | Assay Description Inhibition of recombinant HIV1 integrase strand transfer activity by high throughput electrochemiluminescent assay in presence of magnesium | J Med Chem 51: 4744-50 (2008) Article DOI: 10.1021/jm8001422 BindingDB Entry DOI: 10.7270/Q2GM8B3P | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 500 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica Curated by ChEMBL | Assay Description Inhibition of HIV-1 integrase catalytic activity | J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 1.45E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Institute of Materia Medica Curated by ChEMBL | Assay Description Evaluated for inhibition of HIV-1 integrase catalytic activity in terms of inhibition of 3'-processing | J Med Chem 47: 2561-73 (2004) Article DOI: 10.1021/jm030559k BindingDB Entry DOI: 10.7270/Q29P3136 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 400 | n/a | n/a | n/a | n/a | n/a | n/a |
University of Minnesota Curated by ChEMBL | Assay Description Inhibition of HIV integrase pre-incubated for 10 mins before addition of oligo-5'-biotin ATGTGGAAAATCTCTAGCA annealed with ACTGCTAGAGATTTTCCACAT 3'-C... | J Med Chem 59: 2648-59 (2016) Article DOI: 10.1021/acs.jmedchem.5b01879 | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
HIV-1 Integrase (Human immunodeficiency virus type 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 37 | n/a | n/a | n/a | n/a | 7.3 | 22 |
Gilead Sciences Inc. | Assay Description In the 3-end joining assay, the biotinylated donor DNA was bound to streptavidin-coated plates, and integrase was added to each well to allow process... | J Mol Biol 380: 504-19 (2008) Article DOI: 10.1016/j.jmb.2008.04.054 BindingDB Entry DOI: 10.7270/Q2707ZQF | |||||||||||
More data for this Ligand-Target Pair | |||||||||||||
Human immunodeficiency virus type 1 integrase (Human immunodeficiency virus 1) | BDBM23399 (4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...) | PDB MMDB UniProtKB/TrEMBL B.MOAD DrugBank GoogleScholar AffyNet | CHEMBL KEGG PC cid PC sid UniChem Patents Similars | Article PubMed | n/a | n/a | 300 | n/a | n/a | n/a | n/a | n/a | n/a |
Università degli Studi di Roma 'La Sapienza' Curated by ChEMBL | Assay Description Inhibitory activity against HIV-1 integrase. | Bioorg Med Chem Lett 14: 1745-9 (2004) Article DOI: 10.1016/j.bmcl.2004.01.037 BindingDB Entry DOI: 10.7270/Q2B56J61 | |||||||||||
More data for this Ligand-Target Pair |