BindingDB BDBM17638 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid::CHEMBL6::Indocin::Indomethacin::US11478464, Compound Indomethacin::US11786535, Compound Indomethacin::US9271961, Indomethacin::indometacin

BDBM17638 2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl-1H-indol-3-yl}acetic acid::CHEMBL6::Indocin::Indomethacin::US11478464, Compound Indomethacin::US11786535, Compound Indomethacin::US9271961, Indomethacin::indometacin

SMILES COc1ccc2n(C(=O)c3ccc(Cl)cc3)c(C)c(CC(O)=O)c2c1

InChI Key InChIKey=CGIGDMFJXJATDK-UHFFFAOYSA-N

Data 61 KI 428 IC50 5 Kd 3 EC50

PDB links: 24 PDB IDs match this monomer.

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 17638

Prostaglandin G/H synthase 2 [18-504,V335L](Mus musculus (Mouse))
Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine

BDBM17638(2-{1-[(4-chlorophenyl)carbonyl]-5-methoxy-2-methyl...)

IC50: 4.00E+3nMAssay Description:We evaluated the ability of test compounds to inhibit purified ovine COX-1 or murine COX-2 utilizing previously published protocols. [Uddin et al, Ca...More data for this Ligand-Target Pair

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3D Structure (crystal)

Filter my 496 hits

Targets 55▿
- Prostaglandin G/H synthase 2 181
- Prostaglandin G/H synthase 1 174
- Prostaglandin G/H synthase 1/2 20
- Prostaglandin E2 receptor EP2 subtype 13
- Aldo-keto reductase family 1 member C3 11
- Polyunsaturated fatty acid 5-lipoxygenase 9
- Aldo-keto reductase family 1 member C2 6
- Nitric oxide synthase, inducible 5
- Prostaglandin E2 receptor EP3 subtype 4
- Aldo-keto reductase family 1 member C1 4
- Solute carrier family 22 member 6 3
- Prostaglandin D2 receptor 3
- Albumin 3
- Prostaglandin D2 receptor 2 3
- Solute carrier organic anion transporter family member 1B1 3
- Lactoylglutathione lyase 3
- Bile salt export pump 3
- Multidrug resistance-associated protein 1 2
- Prostaglandin E2 receptor EP4 subtype 2
- Thromboxane-A synthase 2
- Phospholipase A2, major isoenzyme 2
- Cytochrome c oxidase subunit 2 2
- Aldo-keto reductase family 1 member C4 2
- Prostaglandin E2 receptor EP1 subtype 2
- Uracil nucleotide/cysteinyl leukotriene receptor 2
- Solute carrier organic anion transporter family member 2B1 2
- Solute carrier organic anion transporter family member 1B3 2
- Prostaglandin G/H synthase 1 [582-599] 1
- Solute carrier family 22 member 8 1
- Prostaglandin G/H synthase 2 [18-604,S516A] 1
- Interleukin-8 1
- Potassium voltage-gated channel subfamily H member 2 1
- Epidermal growth factor receptor 1
- Solute carrier organic anion transporter family member 1A3 1
- Prostaglandin E synthase 1
- Aldo-keto reductase family 1 member B1 [K65Q] 1
- Cytosolic phospholipase A2 gamma 1
- Dehydrogenase/reductase SDR family member 9 1
- Prostaglandin G/H synthase 2 [18-604,Y541F] 1
- Serum paraoxonase/arylesterase 1 1
- Peroxisome proliferator-activated receptor gamma 1
- Prostaglandin G/H synthase 2 [18-604,V509I] 1
- Phospholipase A2 1
- Prostaglandin G/H synthase 2 [18-604,R106Q] 1
- Multidrug and toxin extrusion protein 1 1
- Prostaglandin-H2 D-isomerase 1
- ATP-binding cassette sub-family C member 3 1
- ATP-binding cassette sub-family C member 4 1
- ATP-binding cassette sub-family C member 2 1
- Cannabinoid receptor 1 1
- Bifunctional epoxide hydrolase 2 1
- Androgen receptor 1
- Aldo-keto reductase family 1 member B1 1
- Prostaglandin G/H synthase 2 [18-504,V335L] 1
- Cannabinoid receptor 2 1
- ...
Publications 50▿
- J Pharmacol Exp Ther 290: 551-60 (1999) 14
- ACS Chem Biol 11: 3052-3060 (2016) 9
- J Pharmacol Exp Ther 296: 558-66 (2001) 8
- J Med Chem 56: 2429-46 (2013) 6
- Bioorg Med Chem Lett 14: 4557-62 (2004) 6
- J Med Chem 55: 4740-63 (2012) 6
- Bioorg Med Chem 19: 4574-88 (2011) 5
- J Med Chem 55: 7746-58 (2012) 5
- J Med Chem 63: 11305-11329 (2020) 4
- Bioorg Med Chem Lett 9: 1773-8 (1999) 4
- Bioorg Med Chem 18: 3910-24 (2010) 4
- Bioorg Med Chem Lett 9: 3181-6 (1999) 4
- J Nat Prod 61: 2-7 (1998) 4
- Bioorg Med Chem Lett 14: 1201-3 (2004) 4
- ACS Med Chem Lett 10: 437-443 (2019) 4
- J Med Chem 55: 8152-63 (2012) 4
- J Med Chem 40: 819-24 (1997) 4
- J Med Chem 42: 1151-60 (1999) 4
- J Med Chem 42: 1161-9 (1999) 4
- Bioorg Med Chem Lett 16: 4440-3 (2006) 4
- J Nat Prod 75: 716-21 (2012) 4
- J Med Chem 45: 1402-11 (2002) 4
- J Med Chem 57: 5638-48 (2014) 4
- ACS Med Chem Lett 4: 486-490 (2013) 4
- Bioorg Med Chem Lett 8: 2777-82 (1999) 3
- Proc Natl Acad Sci U S A 96: 7563-8 (1999) 3
- ACS Med Chem Lett 2: 353-357 (2011) 3
- Bioorg Med Chem Lett 9: 3187-92 (1999) 3
- J Med Chem 46: 3463-75 (2003) 3
- Bioorg Med Chem Lett 7: 57-62 (1997) 3
- J Med Chem 35: 3148-55 (1992) 3
- Bioorg Med Chem Lett 9: 1715-20 (1999) 3
- Eur J Med Chem 101: 81-95 (2015) 3
- Toxicol Sci 136: 216-41 (2013) 3
- Proc Natl Acad Sci U S A 97: 925-30 (2000) 3
- US Patent US9271961 (2016) 3
- ACS Med Chem Lett 6: 1086-90 (2015) 3
- Bioorg Med Chem Lett 3: 2087-2092 (1993) 3
- Bioorg Med Chem Lett 3: 711-716 (1993) 3
- J Med Chem 54: 2060-8 (2011) 3
- Bioorg Med Chem Lett 17: 2558-60 (2007) 3
- Eur J Med Chem 45: 4058-64 (2010) 2
- Bioorg Med Chem Lett 18: 85-9 (2008) 2
- Bioorg Med Chem 28: (2020) 2
- Bioorg Med Chem Lett 22: 2154-9 (2012) 2
- Bioorg Med Chem Lett 22: 6745-9 (2012) 2
- Bioorg Med Chem 57: (2022) 2
- Eur J Med Chem 171: 25-37 (2019) 2
- Bioorg Med Chem Lett 24: 5324-9 (2015) 2
- J Med Chem 48: 4061-7 (2005) 2
- ...
Institutions 36▿
- Merck Frosst Centre For Therapeutic Research 43
- TBA 12
- Minase Research Institute 11
- Uppsala University 10
- Vanderbilt Institute of Chemical Biology, Vanderbilt University School of Medicine 9
- Warner-Lambert 8
- Vanderbilt University School Of Medicine 6
- University Of Auckland 5
- National Research Institute Of Chinese Medicine 4
- University Of Alberta 4
- Abbott Laboratories 4
- Hokkaido University 4
- University Jena 4
- Laboratorios Menarini 4
- China Pharmaceutical University 4
- University Of Turin 4
- Gifu Pharmaceutical University 4
- Universit£ 4
- Vanderbilt University 4
- Indian Institute Of Technology (Banaras Hindu University) 3
- Amgen 3
- University of Pennsylvania 3
- Dupont Pharmaceuticals 3
- Vanderbilt University School of Medicine 3
- Sichuan University 3
- Domp&Egrove 3
- St. Bartholomew'S and The Royal London School of Medicine and Dentistry 3
- Guangzhou Institutes Of Biomedicine And Health 3
- Institute For Natural Product Research And Infection Biology 3
- Kle University 2
- Assiut University 2
- University Of Hyderabad Campus 2
- University Of Karachi 2
- Cairo University 2
- Guru Nanak Dev University 2
- Georgia Institute Of Technology 2
- ...
Affinity: 0.14 to 6.3E+8 nM▿
- Ki 61
- IC50 428
- Kd 5
- EC50 3
- Affinity ≤ nM
Xtal structures: 1
Docked structures: 1
Catalog Cmpds: 1