BDBM50074633 CHEMBL407521::R-K-K-(Ach)-(Ach)-(Ach)-R-R-K-NH2

SMILES: NCCCC[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCNC(N)=N)NC(=O)C1CCC(CC1)NC(=O)C1CCC(CC1)NC(=O)C1CCC(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=OJNDPXXOPVMGLQ-JVPJDNMWSA-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 = 50074633   

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))	BDBM50074633 (CHEMBL407521 | R-K-K-(Ach)-(Ach)-(Ach)-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)C1CCC(CC1)NC(=O)C1CCC(CC1)NC(=O)C1CCC(CC1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)CCCNC(N)=N)C(N)=O |wU:58.66,20.27,5.5,76.79,wD:67.75,9.16,(35.84,1.31,;35.84,-.23,;34.51,-1,;34.51,-2.54,;33.16,-3.31,;33.16,-4.85,;31.83,-5.62,;30.5,-4.85,;30.5,-3.31,;29.17,-5.62,;29.17,-7.16,;30.5,-7.93,;30.5,-9.47,;31.83,-10.24,;31.83,-11.78,;33.16,-12.55,;30.5,-12.55,;27.84,-4.85,;26.51,-5.62,;26.51,-7.16,;25.16,-4.85,;25.16,-3.31,;26.51,-2.54,;26.51,-1,;27.84,-.23,;27.84,1.31,;26.51,2.08,;29.17,2.08,;23.83,-5.62,;22.5,-4.85,;22.5,-3.31,;21.17,-5.62,;20.4,-6.95,;18.88,-6.95,;18.11,-5.63,;18.88,-4.29,;20.42,-4.28,;16.76,-4.86,;15.43,-5.63,;15.43,-7.17,;14.1,-4.86,;13.32,-3.55,;11.78,-3.55,;11.04,-4.91,;11.83,-6.23,;13.35,-6.21,;9.71,-5.68,;8.38,-4.91,;8.38,-3.37,;6.89,-5.3,;6.11,-3.97,;4.56,-3.99,;3.81,-5.33,;4.6,-6.66,;6.14,-6.63,;2.48,-4.56,;1.15,-5.33,;1.15,-6.87,;-.18,-4.56,;-.18,-3.02,;1.15,-2.25,;1.15,-.71,;2.48,.06,;2.48,1.6,;-1.52,-5.33,;-2.85,-4.56,;-2.85,-3.02,;-4.19,-5.33,;-4.19,-6.87,;-2.85,-7.64,;-2.85,-9.18,;-1.52,-9.95,;-1.52,-11.49,;-5.52,-4.56,;-6.85,-5.33,;-6.85,-6.87,;-8.18,-4.56,;-9.51,-5.33,;-8.18,-3.02,;-6.85,-2.25,;-6.85,-.71,;-5.52,.06,;-5.52,1.6,;-6.85,2.37,;-4.19,2.37,;34.51,-5.62,;35.84,-4.85,;34.51,-7.16,)| Show InChI InChI=1S/C57H108N22O9/c58-28-4-1-11-41(46(62)80)75-52(86)45(15-9-33-71-57(67)68)79-54(88)44(14-8-32-70-56(65)66)76-49(83)36-20-24-38(25-21-36)73-47(81)34-16-22-37(23-17-34)72-48(82)35-18-26-39(27-19-35)74-51(85)42(12-2-5-29-59)78-53(87)43(13-3-6-30-60)77-50(84)40(61)10-7-31-69-55(63)64/h34-45H,1-33,58-61H2,(H2,62,80)(H,72,82)(H,73,81)(H,74,85)(H,75,86)(H,76,83)(H,77,84)(H,78,87)(H,79,88)(H4,63,64,69)(H4,65,66,70)(H4,67,68,71)/t34?,35?,36?,37?,38?,39?,40-,41-,42-,43-,44-,45-/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	2.00E+4	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