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SMILES: Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1Cl)C(C)(C)O

InChI Key: InChIKey=JVPYSHCVNWGQBI-GDLZYMKVSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 445584   

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
Myc proto-oncogene protein (Homo sapiens (Human))	BDBM445584 (US10683290, Example 77) Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1Cl)C(C)(C)O |r,wD:11.11,(4.65,-1.19,;5.42,.14,;6.95,.3,;7.27,1.81,;5.94,2.58,;6.34,4.07,;4.79,1.55,;3.29,1.87,;2.26,.73,;.75,1.05,;-.5,.14,;-.5,-1.4,;-1.83,-2.17,;-3.16,-1.4,;-4.5,-2.17,;-4.5,-3.71,;-3.16,-4.48,;-1.83,-3.71,;.84,-2.17,;.84,-3.71,;2.17,-4.48,;3.51,-3.71,;3.51,-2.17,;2.17,-1.4,;-1.74,1.05,;-3.25,.73,;-4.28,1.87,;-3.8,3.33,;-2.3,3.65,;-1.27,2.51,;.27,2.51,;1.31,3.65,;2.81,3.33,;3.84,4.48,;-5.78,1.55,;-6.81,2.69,;-7.27,1.15,;-6.26,.09,)| Show InChI InChI=1S/C30H32ClN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	42	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of c-MYC (unknown origin)				Citation and Details Article DOI: 10.1016/j.bmcl.2021.128376 BindingDB Entry DOI: 10.7270/Q2KS6WD7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [1-477] (Homo sapiens (Human))	BDBM445584 (US10683290, Example 77) Show SMILES Cc1nnn(C)c1-c1cc2n([C@@H](C3CCOCC3)c3ccccc3)c3cc(cnc3c2cc1Cl)C(C)(C)O |r,wD:11.11,(4.65,-1.19,;5.42,.14,;6.95,.3,;7.27,1.81,;5.94,2.58,;6.34,4.07,;4.79,1.55,;3.29,1.87,;2.26,.73,;.75,1.05,;-.5,.14,;-.5,-1.4,;-1.83,-2.17,;-3.16,-1.4,;-4.5,-2.17,;-4.5,-3.71,;-3.16,-4.48,;-1.83,-3.71,;.84,-2.17,;.84,-3.71,;2.17,-4.48,;3.51,-3.71,;3.51,-2.17,;2.17,-1.4,;-1.74,1.05,;-3.25,.73,;-4.28,1.87,;-3.8,3.33,;-2.3,3.65,;-1.27,2.51,;.27,2.51,;1.31,3.65,;2.81,3.33,;3.84,4.48,;-5.78,1.55,;-6.81,2.69,;-7.27,1.15,;-6.26,.09,)| Show InChI InChI=1S/C30H32ClN5O2/c1-18-28(35(4)34-33-18)22-16-25-23(15-24(22)31)27-26(14-21(17-32-27)30(2,3)37)36(25)29(19-8-6-5-7-9-19)20-10-12-38-13-11-20/h5-9,14-17,20,29,37H,10-13H2,1-4H3/t29-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Company US Patent					Assay Description All assay components were dissolved in buffer composition 20 mM Hepes pH 7.5, 150 mM NaCl, 5 mM DTT, 0.005% Tween 20, and 100 ug/ml BSA for BRD4 (1-4...				US Patent US10683290 (2020) BindingDB Entry DOI: 10.7270/Q25D8VWB
					More data for this Ligand-Target Pair