BDBM50114129 4-((6R,7S,8S,10R,11S,12S,14S,15R)-3,12-Di(R)-hydroxy-7-hydroxy-10,13-dimethyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid [2-(5-sulfamoyl-[1,3,4]thiadiazol-2-ylcarbamoyl)-ethyl]-amide::CHEMBL3137802

SMILES [H][C@@]1(CC[C@@]2([H])[C@]3([H])[C@H](O)C[C@]4([H])C[C@H](O)CC[C@]4(C)[C@@]3([H])C[C@H](O)[C@]12C)[C@H](C)CCC(=O)NCCC(=O)Nc1nnc(s1)S(N)(=O)=O

InChI Key InChIKey=JLMFYESRTXBZGF-QGSVLFEJSA-N

Data  3 KI

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50114129   

TargetCarbonic anhydrase 4(Bos taurus (bovine))
Universit£

Curated by ChEMBL
LigandPNGBDBM50114129(4-((6R,7S,8S,10R,11S,12S,14S,15R)-3,12-Di(R)-hydro...)
Affinity DataKi:  1.20nMAssay Description:Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomesMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 2(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50114129(4-((6R,7S,8S,10R,11S,12S,14S,15R)-3,12-Di(R)-hydro...)
Affinity DataKi:  1.20nMAssay Description:Inhibitory activity against human recombinant carbonic anhydrase II (CA2)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetCarbonic anhydrase 1(Homo sapiens (Human))
Universit£

Curated by ChEMBL
LigandPNGBDBM50114129(4-((6R,7S,8S,10R,11S,12S,14S,15R)-3,12-Di(R)-hydro...)
Affinity DataKi:  1.20nMAssay Description:Inhibitory activity against human recombinant carbonic anhydrase I (CA1)More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed