BDBM50114121 (R)-4-((5S,6R,8S,9R,10S,11S,14S,17R)-3,7,12-Trihydroxy-10-(R)-methyl-13-methyl-hexadecahydro-cyclopenta[a]phenanthren-17-yl)-pentanoic acid [3-methyl-5-sulfamoyl-3H-[1,3,4]thiadiazol-(2E)-ylidene]-amide::CHEMBL3138182

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)\N=c1\sc(nn1C)S(N)(=O)=O

InChI Key InChIKey=LKSXHMUNXAGAJV-UHFFFAOYSA-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 = 50114121   

TargetCarbonic anhydrase 2(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50114121((R)-4-((5S,6R,8S,9R,10S,11S,14S,17R)-3,7,12-Trihyd...)
Affinity DataKi:  115nMAssay Description:Inhibitory activity against human recombinant carbonic anhydrase II (CA2)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 1(Human)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50114121((R)-4-((5S,6R,8S,9R,10S,11S,14S,17R)-3,7,12-Trihyd...)
Affinity DataKi:  115nMAssay Description:Inhibitory activity against human recombinant carbonic anhydrase I (CA1)More data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2012
Entry Details Article
PubMed
TargetCarbonic anhydrase 4(Bovine)
Universita Degli Studi Di Firenze

Curated by ChEMBL
LigandPNGBDBM50114121((R)-4-((5S,6R,8S,9R,10S,11S,14S,17R)-3,7,12-Trihyd...)
Affinity DataKi:  115nMAssay Description:Inhibitory activity against bovine carbonic anhydrase IV (CA4), obtained from bovine lung microsomesMore data for this Ligand-Target Pair
In Depth
Date in BDB:
10/5/2012
Entry Details Article
PubMed