BDBM50367748 CHEMBL2369568

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

InChI Key: InChIKey=GWVFCRZTMLQPEI-BMOICCNKSA-N

Data: 2 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 2 hits for monomerid = 50367748   

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)	BDBM50367748 (CHEMBL2369568) 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](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C36H57N9O13/c1-18(48)27(38-20(3)50)35(57)45-15-7-11-26(45)34(56)43-13-5-10-25(43)32(54)41-28(19(2)49)36(58)44-14-6-9-24(44)31(53)40-22(17-47)33(55)42-12-4-8-23(42)30(52)39-21(16-46)29(37)51/h18-19,21-28,46-49H,4-17H2,1-3H3,(H2,37,51)(H,38,50)(H,39,52)(H,40,53)(H,41,54)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.68E+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
IgA protease (Neisseria gonorrhoeae)	BDBM50367748 (CHEMBL2369568) 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](CO)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O Show InChI InChI=1S/C36H57N9O13/c1-18(48)27(38-20(3)50)35(57)45-15-7-11-26(45)34(56)43-13-5-10-25(43)32(54)41-28(19(2)49)36(58)44-14-6-9-24(44)31(53)40-22(17-47)33(55)42-12-4-8-23(42)30(52)39-21(16-46)29(37)51/h18-19,21-28,46-49H,4-17H2,1-3H3,(H2,37,51)(H,38,50)(H,39,52)(H,40,53)(H,41,54)/t18-,19+,21+,22+,23+,24+,25+,26+,27+,28+/m1/s1	KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	9.35E+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