BDBM50118517 CHEMBL3617067

SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CO)NC(=O)[C@H](CS)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CS)NC(=O)[C@H](CS)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CS)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](CS)NC(=O)[C@@H](N)CCC(O)=O)C(C)C)C(N)=O

InChI Key InChIKey=KBMOQADPISZNMQ-NNOVXWPFSA-N

Data  3 IC50

  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 = 50118517   

TargetSodium channel protein type 3 subunit alpha(Rattus norvegicus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50118517(CHEMBL3617067)
Affinity DataIC50:  375nMAssay Description:Inhibition of rat NaV1.3 channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 9 subunit alpha(Homo sapiens (Human))
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50118517(CHEMBL3617067)
Affinity DataIC50:  21nMAssay Description:Inhibition of human NaV1.7 channel by patch clamp electrophysiology assayMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetSodium channel protein type 2 subunit alpha(Rattus norvegicus)
Merck Research Laboratories

Curated by ChEMBL
LigandPNGBDBM50118517(CHEMBL3617067)
Affinity DataIC50:  36nMAssay Description:Inhibition of rat NaV1.2 channelMore data for this Ligand-Target Pair
In DepthDetails ArticlePubMed