BDBM225369 Chk1_118

SMILES: COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(ccc-21)C(=O)NC1CCC(O)CC1

InChI Key: InChIKey=OMLHOHRIXHKTTN-UHFFFAOYSA-N

Data: 1 KI

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 = 225369   

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))	BDBM225369 (Chk1_118) Show SMILES COc1cc(ccc1O)-c1ccc(cc1)-c1[nH]nc-2c1Cc1cc(ccc-21)C(=O)NC1CCC(O)CC1 |(-6.97,-13.41,;-6.04,-12.19,;-6.64,-10.77,;-5.71,-9.54,;-6.31,-8.12,;-7.84,-7.93,;-8.77,-9.16,;-8.17,-10.58,;-9.1,-11.8,;-5.38,-6.89,;-5.98,-5.47,;-5.05,-4.25,;-3.52,-4.44,;-2.92,-5.86,;-3.85,-7.08,;-2.59,-3.21,;-3.04,-1.74,;-1.77,-.86,;-.55,-1.78,;-1.05,-3.24,;.18,-4.17,;1.44,-3.29,;2.94,-3.64,;3.99,-2.51,;3.55,-1.04,;2.05,-.69,;.99,-1.82,;5.49,-2.86,;5.94,-4.34,;6.55,-1.74,;8.05,-2.09,;9.1,-.97,;10.6,-1.32,;11.05,-2.79,;12.54,-3.14,;9.99,-3.91,;8.49,-3.56,)| Show InChI InChI=1S/C30H29N3O4/c1-37-27-16-19(7-13-26(27)35)17-2-4-18(5-3-17)28-25-15-21-14-20(6-12-24(21)29(25)33-32-28)30(36)31-22-8-10-23(34)11-9-22/h2-7,12-14,16,22-23,34-35H,8-11,15H2,1H3,(H,31,36)(H,32,33)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	D3R	18.7	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