BDBM50030493 CHEMBL3344501::US9566312, Compound 2.17.4

SMILES [H][C@@]1([C@@H](C)CN2CCN(CCOC)CC2)N(C)C(=O)[C@@H](C)N(C)C(=O)[C@H](CC)NC(=O)[C@]([H])([C@H](O)[C@H](C)C\C=C\C)N(C)C(=O)[C@H](C(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CC(C)C)N(C)C(=O)[C@@H](NC1=O)C(C)C

InChI Key InChIKey=KQZKQPCMHFSLEK-ZXVPZRJPSA-N

Data  11 IC50  6 Kd

  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 2 hits for monomerid = 50030493   

TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50030493(CHEMBL3344501 | US9566312, Compound 2.17.4)
Affinity DataIC50:  1.20E+3nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in HEK293 cells using [3H]estradiol-17beta-glucuronide substrateMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSolute carrier organic anion transporter family member 1B1(Homo sapiens (Human))
Novartis Institutes For Biomedical Research

Curated by ChEMBL
LigandPNGBDBM50030493(CHEMBL3344501 | US9566312, Compound 2.17.4)
Affinity DataIC50:  6.10E+3nMAssay Description:Inhibition of OATP1B1 (unknown origin) expressed in CHO cells using 8-fluorescein-cAMP substrate by fluorescent photometryMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed