BDBM50513377 CHEMBL4588311

SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)[C@H](Cc1c(C)cc(O)cc1C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)N(C)C(=O)[C@@H]1CCCN1C(=O)[C@H](CCCCN)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@H](Cc1cn(CCNC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(C)C)NC(=O)C2OC2C(O)=O)nn1)NC(=O)CN1CCN(CC(O)=O)CCN(CC(O)=O)CCN(CC(O)=O)CC1)C(C)(C)C)C(O)=O

InChI Key InChIKey=ASDYDEDXCKSKAM-ZMMXUMBDSA-N

Data  2 KI  1 IC50

  Tab Delimited (TSV)   2D SDfile   Computed 3D by Vconf -m prep SDfile
Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50513377   

TargetProcathepsin L(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50513377(CHEMBL4588311)
Affinity DataKi:  76nMAssay Description:Inhibition of human liver cathepsin L assessed as inhibition constant using Z-Phe-Arg-AMC as substrate measured every 5 mins for 1 hr by fluorescence...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetCathepsin B(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50513377(CHEMBL4588311)
Affinity DataKi:  110nMAssay Description:Inhibition of human liver cathepsin B assessed as inhibition constant using Z-Arg-Arg-AMC as substrate measured every 5 mins for 1 hr by fluorescence...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed
TargetNeurotensin receptor type 1(Homo sapiens (Human))
University of Nebraska Medical Center

Curated by ChEMBL
LigandPNGBDBM50513377(CHEMBL4588311)
Affinity DataIC50:  60nMAssay Description:Displacement of [177Lu] DOTA-beta-ala-[N-alpha-Me8, Dmt11, Tle12] NT6-13 from neurotensin receptor in human HT-29 cells incubated for 45 mins by gamm...More data for this Ligand-Target Pair
Ligand InfoKEGGPC cidPC sid
In DepthDetails ArticlePubMed