BindingDB

null

SMILES OC(=O)C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1

InChI Key InChIKey=PJIBKQJSMPMZCH-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 23399

Carbonic anhydrase 12(Homo sapiens (Human))
Universit£ di Sassari

Curated by ChEMBL

BDBM23399(4-{1-[(4-fluorophenyl)methyl]-1H-pyrrol-2-yl}-2,4-...)copy SMILEScopy InChI

Ki: 7.94E+3nMAssay 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 techniqueMore data for this Ligand-Target Pair

PDB MMDB Reactome pathway KEGG
UniProtKB/SwissProt
B.MOAD DrugBank antibodypedia GoogleScholar

CHEMBL KEGG PC cid PC sid Patents Similars

Details Article
BindingDB Entry DOI: 10.7270/Q2319X0GPubMed

Targets 8 ▿
- Integrase 17
- Carbonic anhydrase 12 1
- Reverse transcriptase 1
- Carbonic anhydrase 1 1
- Gag-Pol polyprotein [1148-1435] 1
- Carbonic anhydrase 9 1
- Carbonic anhydrase 2 1
- RNA-directed RNA polymerase 1
Publications 14 ▿
- Bioorg Med Chem Lett 22: 5801-6 (2012) 4
- J Med Chem 58: 1915-28 (2015) 3
- J Med Chem 47: 2561-73 (2004) 2
- J Med Chem 49: 4248-60 (2006) 2
- Bioorg Med Chem Lett 16: 2920-4 (2006) 2
- Bioorg Med Chem 17: 2925-35 (2009) 2
- Bioorg Med Chem Lett 14: 1745-9 (2004) 2
- J Med Chem 43: 4923-6 (2001) 1
- J Med Chem 59: 2648-59 (2016) 1
- J Mol Biol 380: 504-19 (2008) 1
- J Med Chem 48: 7084-8 (2005) 1
- Bioorg Med Chem Lett 14: 1447-54 (2004) 1
- J Med Chem 51: 4744-50 (2008) 1
- J Med Chem 48: 6304-14 (2005) 1
Institutions 13 ▿
- [Universit£ di Sassari] 6
- [Universit£ di Roma] 3
- [Bristol-Myers Squibb, Università degli Studi di Roma 'La Sapienza', Institute of Materia Medica, Università di Sassari] 2
- [Bristol-Myers Squibb, Università degli Studi di Roma 'La Sapienza', Institute of Materia Medica, Università di Sassari] 2
- [Bristol-Myers Squibb, Università degli Studi di Roma 'La Sapienza', Institute of Materia Medica, Università di Sassari] 2
- [Bristol-Myers Squibb, Università degli Studi di Roma 'La Sapienza', Institute of Materia Medica, Università di Sassari] 2
- [Merck Research Laboratories, University of Houston, Fondazione Cenci BolognettiUniversit£ di Roma, Università di Messina, University of Minnesota, University of Rome La Sapienza, Gilead Sciences Inc.] 1
- [Merck Research Laboratories, University of Houston, Fondazione Cenci BolognettiUniversit£ di Roma, Università di Messina, University of Minnesota, University of Rome La Sapienza, Gilead Sciences Inc.] 1
- [Merck Research Laboratories, University of Houston, Fondazione Cenci BolognettiUniversit£ di Roma, Università di Messina, University of Minnesota, University of Rome La Sapienza, Gilead Sciences Inc.] 1
- [Merck Research Laboratories, University of Houston, Fondazione Cenci BolognettiUniversit£ di Roma, Università di Messina, University of Minnesota, University of Rome La Sapienza, Gilead Sciences Inc.] 1
- [Merck Research Laboratories, University of Houston, Fondazione Cenci BolognettiUniversit£ di Roma, Università di Messina, University of Minnesota, University of Rome La Sapienza, Gilead Sciences Inc.] 1
- [Merck Research Laboratories, University of Houston, Fondazione Cenci BolognettiUniversit£ di Roma, Università di Messina, University of Minnesota, University of Rome La Sapienza, Gilead Sciences Inc.] 1
- [Merck Research Laboratories, University of Houston, Fondazione Cenci BolognettiUniversit£ di Roma, Università di Messina, University of Minnesota, University of Rome La Sapienza, Gilead Sciences Inc.] 1
Affinity: 20 to 9.3E+4 nM▿
- Ki 4
- IC50 20
- Affinity ≤ nM
Xtal structures: 0
Docked structures: 0
Catalog Cmpds: 0