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BDBM50367758 CHEMBL2369564

SMILES: C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O

InChI Key: InChIKey=KZCQWRHJRWCZKF-FYFYYWGTSA-N

Data: 1 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50367758   
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
IgA protease


(Neisseria gonorrhoeae)		BDBM50367758
PNG
(CHEMBL2369564)
Show SMILES C[C@@H](O)[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H]([C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H]([C@@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)N1CCC[C@H]1C(=O)N[C@@H](CO)C(O)=O
Show InChI InChI=1S/C67H106N16O24/c1-33(88)49(68)63(102)82-27-11-19-46(82)61(100)78-23-7-17-44(78)58(97)74-51(35(3)90)64(103)80-25-9-15-42(80)56(95)70-38(30-85)60(99)77-22-6-14-41(77)55(94)69-37(29-84)53(92)73-50(34(2)89)66(105)83-28-12-20-47(83)62(101)79-24-8-18-45(79)59(98)75-52(36(4)91)65(104)81-26-10-16-43(81)57(96)72-48(32-87)76-21-5-13-40(76)54(93)71-39(31-86)67(106)107/h33-52,84-91H,5-32,68H2,1-4H3,(H,69,94)(H,70,95)(H,71,93)(H,72,96)(H,73,92)(H,74,97)(H,75,98)(H,106,107)/t33-,34+,35+,36-,37+,38+,39+,40+,41+,42+,43+,44+,45+,46+,47+,48-,49+,50+,51+,52+/m1/s1
KEGG

UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars
PubMed
n/an/a 3.10E+5n/an/an/an/an/an/a



University Hospital

Curated by ChEMBL


Assay Description
Tested for inhibitory activity against IgA1 proteinase

J Med Chem 31: 1647-51 (1988)


BindingDB Entry DOI: 10.7270/Q2S46SKJ
More data for this
Ligand-Target Pair