BDBM225362 Chk1_104

SMILES: OC1CCC(CC1)NC(=O)c1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)-c2ccc(O)cc2)c1

InChI Key: InChIKey=VKPCXCHYSBVEMW-UHFFFAOYSA-N

Data: 1 KI

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Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 225362   

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
CHK1_Kinase (Homo sapiens (Human))	BDBM225362 (Chk1_104) Show SMILES OC1CCC(CC1)NC(=O)c1ccc-2c(Cc3c-2n[nH]c3-c2ccc(cc2)-c2ccc(O)cc2)c1 |(-8.72,1.74,;-7.22,1.4,;-6.17,2.52,;-4.67,2.17,;-4.22,.7,;-5.27,-.43,;-6.77,-.08,;-2.72,.35,;-1.67,1.47,;-2.11,2.94,;-.17,1.12,;.28,-.35,;1.78,-.7,;2.83,.42,;2.39,1.89,;3.65,2.77,;4.88,1.84,;4.37,.39,;5.6,-.54,;6.86,.34,;6.42,1.81,;7.35,3.04,;6.75,4.46,;7.68,5.69,;9.21,5.5,;9.8,4.08,;8.88,2.85,;10.14,6.73,;9.54,8.14,;10.47,9.37,;12,9.18,;12.92,10.41,;12.59,7.76,;11.66,6.53,;.89,2.24,)| Show InChI InChI=1S/C29H27N3O3/c33-23-10-5-18(6-11-23)17-1-3-19(4-2-17)27-26-16-21-15-20(7-14-25(21)28(26)32-31-27)29(35)30-22-8-12-24(34)13-9-22/h1-7,10-11,14-15,22,24,33-34H,8-9,12-13,16H2,(H,30,35)(H,31,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	4.38	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
D3R					Assay Description 33P-Radiometric_Method1				D3R 221: (2015) BindingDB Entry DOI: 10.7270/Q2WS8S4Z
					More data for this Ligand-Target Pair