BDBM50366439 CHEMBL1793835

SMILES: CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)C1Cc2ccccc2CN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O

InChI Key: InChIKey=UIBNVVULAWNCBI-UJUTWIMKSA-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 = 50366439   

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
Human leukocyte antigen DR beta chain (Homo sapiens (Human))	BDBM50366439 (CHEMBL1793835) Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)C1Cc2ccccc2CN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C42H65N7O9/c1-4-20-44-40(56)37(27(3)50)47-38(54)33-18-12-21-48(33)42(58)32(24-36(52)53)46-39(55)34-23-29-15-8-9-16-30(29)25-49(34)41(57)31(17-10-11-19-43)45-35(51)22-26(2)28-13-6-5-7-14-28/h8-9,15-16,26-28,31-34,37,50H,4-7,10-14,17-25,43H2,1-3H3,(H,44,56)(H,45,51)(H,46,55)(H,47,54)(H,52,53)/t26-,27+,31-,32-,33-,34?,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	303	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to compete for binding to Class II MHC using ELISA assay.				Bioorg Med Chem Lett 6: 1931-1936 (1996) Article DOI: 10.1016/0960-894X(96)00348-4 BindingDB Entry DOI: 10.7270/Q2JM2B31
					More data for this Ligand-Target Pair
Human leukocyte antigen DR beta chain (Homo sapiens (Human))	BDBM50366439 (CHEMBL1793835) Show SMILES CCCNC(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)C1Cc2ccccc2CN1C(=O)[C@H](CCCCN)NC(=O)C[C@H](C)C1CCCCC1)[C@@H](C)O Show InChI InChI=1S/C42H65N7O9/c1-4-20-44-40(56)37(27(3)50)47-38(54)33-18-12-21-48(33)42(58)32(24-36(52)53)46-39(55)34-23-29-15-8-9-16-30(29)25-49(34)41(57)31(17-10-11-19-43)45-35(51)22-26(2)28-13-6-5-7-14-28/h8-9,15-16,26-28,31-34,37,50H,4-7,10-14,17-25,43H2,1-3H3,(H,44,56)(H,45,51)(H,46,55)(H,47,54)(H,52,53)/t26-,27+,31-,32-,33-,34?,37-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	178	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Ability to compete for binding to Class II MHC using ELISA assay.				Bioorg Med Chem Lett 6: 1931-1936 (1996) Article DOI: 10.1016/0960-894X(96)00348-4 BindingDB Entry DOI: 10.7270/Q2JM2B31
					More data for this Ligand-Target Pair