BDBM50462209 CHEMBL4247618

SMILES: CC(C)C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)C(N)=O)NC(C)=O

InChI Key: InChIKey=NOIDEXSADBXQKS-ZBUIUSNRSA-N

Data: 1 KI

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 = 50462209   

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
Kelch-like ECH-associated protein 1 (Homo sapiens (Human))	BDBM50462209 (CHEMBL4247618) Show SMILES CC(C)C[C@@H]1NC(=O)[C@H](CSSC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@H](CCC(O)=O)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CC(O)=O)NC1=O)[C@@H](C)O)C(N)=O)NC(C)=O |r| Show InChI InChI=1S/C48H69N11O20S2/c1-22(2)16-29-44(75)57-31(18-38(69)70)46(77)54-27(11-14-36(65)66)42(73)53-28(12-15-37(67)68)43(74)59-39(23(3)60)48(79)50-19-34(62)52-26(10-13-35(63)64)41(72)56-30(17-25-8-6-5-7-9-25)45(76)58-32(40(49)71)20-80-81-21-33(47(78)55-29)51-24(4)61/h5-9,22-23,26-33,39,60H,10-21H2,1-4H3,(H2,49,71)(H,50,79)(H,51,61)(H,52,62)(H,53,73)(H,54,77)(H,55,78)(H,56,72)(H,57,75)(H,58,76)(H,59,74)(H,63,64)(H,65,66)(H,67,68)(H,69,70)/t23-,26+,27+,28+,29+,30+,31+,32+,33+,39+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	48	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of East Anglia Curated by ChEMBL					Assay Description Displacement of F-14 from Keap1 Kelch domain (unknown origin) expressed in Escherichia coli BL21 (DE3) after 15 mins by fluorescence polarization ass...				Bioorg Med Chem Lett 28: 2728-2731 (2018) Article DOI: 10.1016/j.bmcl.2018.03.003 BindingDB Entry DOI: 10.7270/Q2QC065N
					More data for this Ligand-Target Pair