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BDBM50466078 CHEMBL4278214

SMILES: CC(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(C(N)=N)c(N)c1

InChI Key: InChIKey=DWOCMFAZGROEEY-CNXVDZONSA-N

Data: 2 KI

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50466078   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Subtilisin/kexin type 6


(Homo sapiens (Human))
BDBM50466078
PNG
(CHEMBL4278214)
Show SMILES CC(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(C(N)=N)c(N)c1
Show InChI InChI=1S/C51H91N15O8/c1-27(2)21-38(60-32(11)67)46(70)63-40(23-29(5)6)48(72)65-41(24-30(7)8)49(73)64-39(22-28(3)4)47(71)61-37(16-14-20-58-51(56)57)45(69)66-42(31(9)10)50(74)62-36(15-12-13-19-52)44(68)59-26-33-17-18-34(43(54)55)35(53)25-33/h17-18,25,27-31,36-42H,12-16,19-24,26,52-53H2,1-11H3,(H3,54,55)(H,59,68)(H,60,67)(H,61,71)(H,62,74)(H,63,70)(H,64,73)(H,65,72)(H,66,69)(H4,56,57,58)/t36-,37-,38+,39-,40-,41-,42-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
14n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PACE4 using pGlu-Arg-Thr-Lys-Arg-AMC peptide as substrate by spectrofluorometry


J Med Chem 61: 11250-11260 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01381
BindingDB Entry DOI: 10.7270/Q2TQ646X
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50466078
PNG
(CHEMBL4278214)
Show SMILES CC(C)C[C@@H](NC(C)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCc1ccc(C(N)=N)c(N)c1
Show InChI InChI=1S/C51H91N15O8/c1-27(2)21-38(60-32(11)67)46(70)63-40(23-29(5)6)48(72)65-41(24-30(7)8)49(73)64-39(22-28(3)4)47(71)61-37(16-14-20-58-51(56)57)45(69)66-42(31(9)10)50(74)62-36(15-12-13-19-52)44(68)59-26-33-17-18-34(43(54)55)35(53)25-33/h17-18,25,27-31,36-42H,12-16,19-24,26,52-53H2,1-11H3,(H3,54,55)(H,59,68)(H,60,67)(H,61,71)(H,62,74)(H,63,70)(H,64,73)(H,65,72)(H,66,69)(H4,56,57,58)/t36-,37-,38+,39-,40-,41-,42-/m0/s1
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

B.MOAD
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of recombinant human furin using pGlu-Arg-Thr-Lys-Arg-AMC peptide as substrate by spectrofluorometry


J Med Chem 61: 11250-11260 (2018)


Article DOI: 10.1021/acs.jmedchem.8b01381
BindingDB Entry DOI: 10.7270/Q2TQ646X
More data for this
Ligand-Target Pair