BDBM50367752 CHEMBL3037869

SMILES: C[C@@H](O)[C@H](NC(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](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O

InChI Key: InChIKey=MAGXGHCWSSDXBD-TUAQFQKGSA-N

Data: 1 IC50

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 1 hit for monomerid = 50367752   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
IgA protease (Neisseria gonorrhoeae)	BDBM50367752 (CHEMBL3037869) Show SMILES C[C@@H](O)[C@H](NC(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](CSSC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(C)=O)[C@@H](C)O)[C@H](C)O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C72H112N18O24S2/c1-35(93)53(75-39(5)97)69(111)89-29-13-21-51(89)67(109)85-25-9-19-49(85)63(105)81-55(37(3)95)71(113)87-27-11-17-47(87)61(103)79-43(65(107)83-23-7-15-45(83)59(101)77-41(31-91)57(73)99)33-115-116-34-44(66(108)84-24-8-16-46(84)60(102)78-42(32-92)58(74)100)80-62(104)48-18-12-28-88(48)72(114)56(38(4)96)82-64(106)50-20-10-26-86(50)68(110)52-22-14-30-90(52)70(112)54(36(2)94)76-40(6)98/h35-38,41-56,91-96H,7-34H2,1-6H3,(H2,73,99)(H2,74,100)(H,75,97)(H,76,98)(H,77,101)(H,78,102)(H,79,103)(H,80,104)(H,81,105)(H,82,106)/t35-,36-,37-,38+,41+,42+,43+,44+,45+,46+,47+,48+,49+,50+,51+,52+,53+,54+,55+,56+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL KEGG PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.15E+6	n/a	n/a	n/a	n/a	n/a	n/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