BDBM50074655 CHEMBL264533::R-K-K-Y-K-Q-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](CCC(N)=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=SPEKINYITNHOLP-GMIRWQTLSA-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 = 50074655   

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))	BDBM50074655 (CHEMBL264533 | R-K-K-Y-K-Q-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](CCC(N)=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/C56H104N24O11/c57-25-5-1-13-36(45(63)83)73-47(85)40(17-10-30-71-55(66)67)76-50(88)41(18-11-31-72-56(68)69)77-52(90)42(23-24-44(62)82)79-49(87)38(15-3-7-27-59)78-53(91)43(32-33-19-21-34(81)22-20-33)80-51(89)39(16-4-8-28-60)75-48(86)37(14-2-6-26-58)74-46(84)35(61)12-9-29-70-54(64)65/h19-22,35-43,81H,1-18,23-32,57-61H2,(H2,62,82)(H2,63,83)(H,73,85)(H,74,84)(H,75,86)(H,76,88)(H,77,90)(H,78,91)(H,79,87)(H,80,89)(H4,64,65,70)(H4,66,67,71)(H4,68,69,72)/t35-,36-,37-,38-,39-,40-,41-,42-,43-/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	300	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