BDBM50138920 CHEMBL3752989

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O

InChI Key: InChIKey=WCTOWEAFYVFGTD-FATQYQBQSA-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 = 50138920   

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
Mitogen-activated protein kinase 1 (Homo sapiens (Human))	BDBM50138920 (CHEMBL3752989) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCCN)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(C)C)C(O)=O |r| Show InChI InChI=1S/C42H73N9O9/c1-8-26(6)35(41(58)49-32(21-24(2)3)39(56)46-27(7)36(53)50-34(42(59)60)22-25(4)5)51-40(57)33(23-28-15-17-29(52)18-16-28)48-38(55)31(14-10-12-20-44)47-37(54)30(45)13-9-11-19-43/h15-18,24-27,30-35,52H,8-14,19-23,43-45H2,1-7H3,(H,46,56)(H,47,54)(H,48,55)(H,49,58)(H,50,53)(H,51,57)(H,59,60)/t26-,27-,30-,31-,32-,33-,34-,35-/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	9.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
Osaka Prefecture University Curated by ChEMBL					Assay Description Inhibition of ERK2 (unknown origin) by ELISA				Bioorg Med Chem Lett 26: 955-8 (2016) BindingDB Entry DOI: 10.7270/Q24J0GZQ
					More data for this Ligand-Target Pair