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SMILES: CC(C)[C@H](NC(=O)[C@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSCc4cccc(CSC[C@@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N5CCC[C@H]5C(=O)N3)n4)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)n2)C(O)=O

InChI Key:

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50598268   
Target/Host
(Institution)		LigandTarget/Host
Links		Ligand
Links		Trg + Lig
Links		Ki
nM		ΔG°
kcal/mole		IC50
nM		Kd
nM		EC50/IC50
nM		koff
s-1		kon
M-1s-1		pHTemp
°C
Kallikrein-5


(Homo sapiens (Human))		BDBM50598268
PNG
(CHEMBL5177587)
Show SMILES CC(C)[C@H](NC(=O)[C@H]1CSCc2cccc(CSC[C@@H](NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]3CCCN3C(=O)[C@@H](NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]3CSCc4cccc(CSC[C@@H](NC(=O)CN)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc5c[nH]c6ccccc56)C(=O)N5CCC[C@H]5C(=O)N3)n4)C(C)C)C(=O)N[C@@H]([C@@H](C)O)C(=O)N1)n2)C(O)=O |r|
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
 2n/an/an/an/an/an/an/an/a


TBA



Citation and Details

Article DOI: 10.1021/acs.jmedchem.2c00306
BindingDB Entry DOI: 10.7270/Q2M049H5
More data for this
Ligand-Target Pair