BDBM50074656 CHEMBL411670::R-K-K-(Ach)-K-Y-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](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)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=ZLISVWSAKNGOTQ-GRUPUFRHSA-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 = 50074656   

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))	BDBM50074656 (CHEMBL411670 | R-K-K-(Ach)-K-Y-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](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)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:61.68,43.49,20.27,5.5,79.81,wD:31.40,70.77,9.16,(30.71,-1.45,;30.71,-2.99,;29.38,-3.76,;29.38,-5.3,;28.05,-6.07,;28.05,-7.59,;26.72,-8.38,;25.39,-7.59,;25.39,-6.07,;24.06,-8.38,;24.06,-9.92,;25.39,-10.69,;25.39,-12.23,;26.72,-13,;26.72,-14.54,;28.05,-15.31,;25.39,-15.31,;22.71,-7.59,;21.38,-8.38,;21.38,-9.92,;20.05,-7.59,;20.05,-6.07,;21.38,-5.3,;21.38,-3.76,;22.71,-2.99,;22.71,-1.45,;21.38,-.68,;24.06,-.68,;18.72,-8.38,;17.38,-7.59,;17.38,-6.07,;16.05,-8.38,;16.05,-9.92,;17.13,-11,;18.6,-10.6,;19.7,-11.67,;19.3,-13.18,;20.39,-14.26,;17.81,-13.56,;16.73,-12.48,;14.71,-7.59,;13.38,-8.38,;13.38,-9.92,;12.05,-7.59,;12.05,-6.07,;13.38,-5.3,;13.38,-3.76,;14.71,-2.99,;14.71,-1.45,;10.72,-8.38,;9.39,-7.59,;9.39,-6.07,;7.89,-8.01,;7.12,-6.68,;5.58,-6.68,;4.83,-8.03,;5.61,-9.36,;7.15,-9.34,;3.5,-7.26,;2.15,-8.03,;2.15,-9.57,;.82,-7.26,;.82,-5.72,;2.15,-4.95,;2.15,-3.41,;3.5,-2.64,;3.5,-1.1,;-.51,-8.03,;-1.84,-7.26,;-1.84,-5.72,;-3.17,-8.03,;-3.17,-9.57,;-1.84,-10.34,;-1.84,-11.88,;-.51,-12.65,;-.51,-14.19,;-4.5,-7.26,;-5.85,-8.03,;-5.85,-9.57,;-7.18,-7.26,;-8.51,-8.03,;-7.18,-5.72,;-5.85,-4.95,;-5.85,-3.41,;-4.5,-2.64,;-4.5,-1.1,;-5.85,-.33,;-3.17,-.33,;29.38,-8.38,;30.71,-7.59,;29.38,-9.92,)| Show InChI InChI=1S/C58H107N23O10/c59-27-5-1-13-40(47(64)83)75-51(87)44(17-10-32-72-57(67)68)79-53(89)45(18-11-33-73-58(69)70)80-55(91)46(34-35-19-25-38(82)26-20-35)81-54(90)42(15-3-7-29-61)76-48(84)36-21-23-37(24-22-36)74-50(86)41(14-2-6-28-60)78-52(88)43(16-4-8-30-62)77-49(85)39(63)12-9-31-71-56(65)66/h19-20,25-26,36-37,39-46,82H,1-18,21-24,27-34,59-63H2,(H2,64,83)(H,74,86)(H,75,87)(H,76,84)(H,77,85)(H,78,88)(H,79,89)(H,80,91)(H,81,90)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36?,37?,39-,40-,41-,42-,43-,44-,45-,46-/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	1.04E+3	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