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SMILES: CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1ccc(cc1)\N=N/c1ccc(cc1)[N+]([O-])=O

InChI Key: InChIKey=QTBBQYWWGOKLHG-VGFMVZORSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50111040   
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
Genome polyprotein


(Hepatitis C virus)		BDBM50111040
PNG
(Azapeptide | CHEMBL383935)
Show SMILES CCCN(NC(=O)[C@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CC(O)=O)NC(C)=O)[C@@H](C)O)C(C)C)C(C)C)C(=O)c1ccc(cc1)\N=N/c1ccc(cc1)[N+]([O-])=O
Show InChI InChI=1S/C50H68N12O18/c1-8-21-61(49(77)29-11-13-30(14-12-29)57-58-31-15-17-32(18-16-31)62(79)80)59-46(74)36-10-9-22-60(36)50(78)41(26(4)5)55-47(75)40(25(2)3)54-45(73)35(24-39(69)70)53-43(71)33(19-20-37(65)66)52-48(76)42(27(6)63)56-44(72)34(23-38(67)68)51-28(7)64/h11-18,25-27,33-36,40-42,63H,8-10,19-24H2,1-7H3,(H,51,64)(H,52,76)(H,53,71)(H,54,73)(H,55,75)(H,56,72)(H,59,74)(H,65,66)(H,67,68)(H,69,70)/b58-57-/t27-,33+,34+,35+,36-,40+,41+,42+/m1/s1
PDB
MMDB

UniProtKB/TrEMBL

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
>1.00E+5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity against Hepatitis C virus NS3 protease

Bioorg Med Chem Lett 12: 1005-8 (2002)


BindingDB Entry DOI: 10.7270/Q2NS0T62
More data for this
Ligand-Target Pair