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BDBM50446945 CHEMBL3115770

SMILES: [#6]-[#6](-[#6])-[#6]-[#6@H](-[#7]-[#6](-[#6])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6@@H](-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#6](=O)-[#7]-[#6]\[#6]=[#6]\[#6]\[#7]=[#6](/[#7])-[#7]

InChI Key: InChIKey=PRKRCMZHFKTMTR-OKTZHENNSA-N

Data: 4 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 4 hits for monomerid = 50446945   
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
Prohormone convertase 2


(Homo sapiens)
BDBM50446945
PNG
(CHEMBL3115770)
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](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC\C=C\CN=C(N)N
Show InChI InChI=1S/C48H91N15O8/c1-27(2)23-35(57-32(11)64)42(67)60-37(25-29(5)6)44(69)62-38(26-30(7)8)45(70)61-36(24-28(3)4)43(68)58-34(18-16-22-56-48(52)53)41(66)63-39(31(9)10)46(71)59-33(17-12-13-19-49)40(65)54-20-14-15-21-55-47(50)51/h14-15,27-31,33-39H,12-13,16-26,49H2,1-11H3,(H,54,65)(H,57,64)(H,58,68)(H,59,71)(H,60,67)(H,61,70)(H,62,69)(H,63,66)(H4,50,51,55)(H4,52,53,56)/b15-14+/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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PubMed
1.70n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human PC2 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr


J Med Chem 57: 98-109 (2014)

More data for this
Ligand-Target Pair
Subtilisin/kexin type 6


(Homo sapiens)
BDBM50446945
PNG
(CHEMBL3115770)
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](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC\C=C\CN=C(N)N
Show InChI InChI=1S/C48H91N15O8/c1-27(2)23-35(57-32(11)64)42(67)60-37(25-29(5)6)44(69)62-38(26-30(7)8)45(70)61-36(24-28(3)4)43(68)58-34(18-16-22-56-48(52)53)41(66)63-39(31(9)10)46(71)59-33(17-12-13-19-49)40(65)54-20-14-15-21-55-47(50)51/h14-15,27-31,33-39H,12-13,16-26,49H2,1-11H3,(H,54,65)(H,57,64)(H,58,68)(H,59,71)(H,60,67)(H,61,70)(H,62,69)(H,63,66)(H4,50,51,55)(H4,52,53,56)/b15-14+/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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PubMed
5.30n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant PACE4 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr


J Med Chem 57: 98-109 (2014)

More data for this
Ligand-Target Pair
Homo sapiens furin (paired basic amino acid cleaving enzyme) (FURIN), mRNA


(Homo sapiens)
BDBM50446945
PNG
(CHEMBL3115770)
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](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC\C=C\CN=C(N)N
Show InChI InChI=1S/C48H91N15O8/c1-27(2)23-35(57-32(11)64)42(67)60-37(25-29(5)6)44(69)62-38(26-30(7)8)45(70)61-36(24-28(3)4)43(68)58-34(18-16-22-56-48(52)53)41(66)63-39(31(9)10)46(71)59-33(17-12-13-19-49)40(65)54-20-14-15-21-55-47(50)51/h14-15,27-31,33-39H,12-13,16-26,49H2,1-11H3,(H,54,65)(H,57,64)(H,58,68)(H,59,71)(H,60,67)(H,61,70)(H,62,69)(H,63,66)(H4,50,51,55)(H4,52,53,56)/b15-14+/t33-,34-,35-,36-,37-,38-,39-/m0/s1
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PubMed
27n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human recombinant furin expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr


J Med Chem 57: 98-109 (2014)

More data for this
Ligand-Target Pair
Subtilisin/kexin type 7


(Homo sapiens)
BDBM50446945
PNG
(CHEMBL3115770)
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](CCCN=C(N)N)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CCCCN)C(=O)NC\C=C\CN=C(N)N
Show InChI InChI=1S/C48H91N15O8/c1-27(2)23-35(57-32(11)64)42(67)60-37(25-29(5)6)44(69)62-38(26-30(7)8)45(70)61-36(24-28(3)4)43(68)58-34(18-16-22-56-48(52)53)41(66)63-39(31(9)10)46(71)59-33(17-12-13-19-49)40(65)54-20-14-15-21-55-47(50)51/h14-15,27-31,33-39H,12-13,16-26,49H2,1-11H3,(H,54,65)(H,57,64)(H,58,68)(H,59,71)(H,60,67)(H,61,70)(H,62,69)(H,63,66)(H4,50,51,55)(H4,52,53,56)/b15-14+/t33-,34-,35-,36-,37-,38-,39-/m0/s1
KEGG

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antibodypedia
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CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
72n/an/an/an/an/an/an/an/a



Universit£ de Sherbrooke

Curated by ChEMBL


Assay Description
Inhibition of human PC7 expressed in drosophila schneider 2 cells using pyroGlu-Arg-Thr-Lys-Arg-AMC as substrate after 1 hr


J Med Chem 57: 98-109 (2014)

More data for this
Ligand-Target Pair