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SMILES: CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)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(cc1)C(N)=N

InChI Key: InChIKey=CITXKWUJEIHJAG-FVMQRRFMSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50265145   
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
Proprotein convertase subtilisin/kexin type 6


(Homo sapiens (Human))
BDBM50265145
PNG
(CHEMBL4073661)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)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(cc1)C(N)=N |r|
Show InChI InChI=1S/C51H86N16O8/c1-28(2)21-38(64-47(72)39(22-29(3)4)65-48(73)40(23-30(5)6)66-49(74)41(61-32(9)68)24-35-26-57-27-60-35)46(71)62-37(14-12-20-58-51(55)56)45(70)67-42(31(7)8)50(75)63-36(13-10-11-19-52)44(69)59-25-33-15-17-34(18-16-33)43(53)54/h15-18,26-31,36-42H,10-14,19-25,52H2,1-9H3,(H3,53,54)(H,57,60)(H,59,69)(H,61,68)(H,62,71)(H,63,75)(H,64,72)(H,65,73)(H,66,74)(H,67,70)(H4,55,56,58)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.30n/an/an/an/an/an/an/an/a



University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of recombinant human PACE4 expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mi...


J Med Chem 60: 2732-2744 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01499
BindingDB Entry DOI: 10.7270/Q2HD7Z4F
More data for this
Ligand-Target Pair
Furin


(Homo sapiens (Human))
BDBM50265145
PNG
(CHEMBL4073661)
Show SMILES CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(C)=O)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(cc1)C(N)=N |r|
Show InChI InChI=1S/C51H86N16O8/c1-28(2)21-38(64-47(72)39(22-29(3)4)65-48(73)40(23-30(5)6)66-49(74)41(61-32(9)68)24-35-26-57-27-60-35)46(71)62-37(14-12-20-58-51(55)56)45(70)67-42(31(7)8)50(75)63-36(13-10-11-19-52)44(69)59-25-33-15-17-34(18-16-33)43(53)54/h15-18,26-31,36-42H,10-14,19-25,52H2,1-9H3,(H3,53,54)(H,57,60)(H,59,69)(H,61,68)(H,62,71)(H,63,75)(H,64,72)(H,65,73)(H,66,74)(H,67,70)(H4,55,56,58)/t36-,37-,38-,39-,40-,41-,42-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



University of Gdansk

Curated by ChEMBL


Assay Description
Inhibition of recombinant human furin expressed in drosophila S2 cells using pyrGlu-Arg-Thr-Lys-Arg-7-amido-4-methylcoumarin as substrate after 60 mi...


J Med Chem 60: 2732-2744 (2017)


Article DOI: 10.1021/acs.jmedchem.6b01499
BindingDB Entry DOI: 10.7270/Q2HD7Z4F
More data for this
Ligand-Target Pair