BDBM50074654 CHEMBL405953::R-K-K-Y-K-D-R-R-K-NH2

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

InChI Key: InChIKey=BXHUKLRILSLHBB-UTALAWHWSA-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 = 50074654   

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
Myosin light chain kinase, smooth muscle (Gallus gallus (chicken))	BDBM50074654 (CHEMBL405953 | R-K-K-Y-K-D-R-R-K-NH2) Show SMILES NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O Show InChI InChI=1S/C55H101N23O12/c56-23-5-1-13-35(44(61)82)71-46(84)39(17-10-28-69-54(64)65)74-48(86)40(18-11-29-70-55(66)67)76-52(90)42(31-43(80)81)78-50(88)38(16-4-8-26-59)75-51(89)41(30-32-19-21-33(79)22-20-32)77-49(87)37(15-3-7-25-58)73-47(85)36(14-2-6-24-57)72-45(83)34(60)12-9-27-68-53(62)63/h19-22,34-42,79H,1-18,23-31,56-60H2,(H2,61,82)(H,71,84)(H,72,83)(H,73,85)(H,74,86)(H,75,89)(H,76,90)(H,77,87)(H,78,88)(H,80,81)(H4,62,63,68)(H4,64,65,69)(H4,66,67,70)/t34-,35-,36-,37-,38-,39-,40-,41-,42-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	610	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibitory activity against MLCK (smooth muscle myosin light chain kinase)				J Med Chem 42: 910-9 (1999) Article DOI: 10.1021/jm980573a BindingDB Entry DOI: 10.7270/Q2JS9R4T
					More data for this Ligand-Target Pair