BDBM50074634 CHEMBL264267::R-K-K-(Ach)-(Ach)-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)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=QMONVGDVOYNENP-BEAJRNAESA-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 = 50074634   

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))	BDBM50074634 (CHEMBL264267 | R-K-K-(Ach)-(Ach)-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)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:31.40,61.69,9.16,79.82,wD:70.78,20.27,5.5,(31.94,-11.67,;31.94,-10.13,;30.61,-9.36,;30.61,-7.82,;29.27,-7.05,;29.27,-5.51,;27.94,-4.74,;26.61,-5.51,;26.61,-7.05,;25.28,-4.74,;25.28,-3.2,;26.61,-2.43,;26.61,-.89,;27.94,-.12,;27.94,1.42,;29.27,2.19,;26.61,2.19,;23.94,-5.51,;22.61,-4.74,;22.61,-3.2,;21.26,-5.51,;21.26,-7.05,;22.61,-7.82,;22.61,-9.36,;23.94,-10.13,;23.94,-11.67,;22.61,-12.44,;25.28,-12.44,;19.93,-4.74,;18.6,-5.51,;18.6,-7.05,;17.27,-4.74,;17.27,-3.2,;18.36,-2.1,;17.95,-.61,;19.02,.48,;20.52,.09,;21.61,1.19,;20.93,-1.38,;19.84,-2.48,;15.94,-5.51,;14.61,-4.74,;14.61,-3.2,;13.14,-5.14,;12.3,-6.44,;10.76,-6.37,;10.06,-5,;10.88,-3.69,;12.42,-3.78,;8.73,-4.23,;7.4,-5,;7.4,-6.54,;6.07,-4.23,;5.25,-5.53,;3.72,-5.47,;2.99,-4.11,;3.83,-2.8,;5.35,-2.88,;1.66,-4.88,;.33,-5.65,;.33,-7.19,;-1,-4.88,;-1,-3.34,;.33,-2.57,;.33,-1.03,;1.66,-.26,;1.66,1.28,;-2.33,-5.65,;-3.68,-4.88,;-3.68,-3.34,;-5.01,-5.65,;-5.01,-7.19,;-3.68,-7.94,;-3.68,-9.5,;-2.33,-10.27,;-2.33,-11.81,;-6.34,-4.88,;-7.67,-5.65,;-7.67,-7.19,;-9,-4.88,;-10.33,-5.65,;-9,-3.34,;-7.67,-2.57,;-7.67,-1.03,;-6.34,-.26,;-6.34,1.28,;-7.67,2.05,;-5.01,2.05,;30.61,-4.74,;31.94,-5.51,;30.61,-3.2,)| Show InChI InChI=1S/C59H106N22O10/c60-28-4-1-11-42(48(64)83)76-53(88)45(14-8-32-72-58(67)68)79-55(90)46(15-9-33-73-59(69)70)80-56(91)47(34-35-16-26-40(82)27-17-35)81-50(85)37-20-22-38(23-21-37)74-49(84)36-18-24-39(25-19-36)75-52(87)43(12-2-5-29-61)78-54(89)44(13-3-6-30-62)77-51(86)41(63)10-7-31-71-57(65)66/h16-17,26-27,36-39,41-47,82H,1-15,18-25,28-34,60-63H2,(H2,64,83)(H,74,84)(H,75,87)(H,76,88)(H,77,86)(H,78,89)(H,79,90)(H,80,91)(H,81,85)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t36?,37?,38?,39?,41-,42-,43-,44-,45-,46-,47-/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	2.97E+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