Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Bromodomain-containing protein 4 [49-170]' and Ligand = 'BDBM480611'   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM480611 (1-(3-(1,3-dimethyl-1H- pyrazol-4-yl)-7- fluoroisoq...) Show SMILES CC1C(=O)N(C)Cc2c(nc(C3CCOCC3)n12)-c1c(F)ccc2cc(ncc12)-c1cn(C)nc1C |(.6,5.86,;.13,4.39,;-1.38,4.07,;-2.41,5.21,;-1.86,2.61,;-3.34,2.21,;-.82,1.46,;.68,1.78,;1.93,.88,;3.17,1.78,;2.7,3.25,;3.47,4.58,;5.01,4.58,;5.78,5.91,;5.01,7.25,;3.47,7.25,;2.7,5.91,;1.16,3.25,;1.93,-.66,;3.26,-1.43,;4.59,-.66,;3.26,-2.97,;1.93,-3.74,;.59,-2.97,;-.74,-3.74,;-2.07,-2.97,;-2.07,-1.43,;-.74,-.66,;.59,-1.43,;-3.41,-3.74,;-3.41,-5.28,;-4.87,-5.76,;-5.27,-7.25,;-5.78,-4.51,;-4.87,-3.27,;-5.27,-1.78,)| Show InChI InChI=1S/C27H29FN6O2/c1-15-20(13-33(4)31-15)22-11-18-5-6-21(28)24(19(18)12-29-22)25-23-14-32(3)27(35)16(2)34(23)26(30-25)17-7-9-36-10-8-17/h5-6,11-13,16-17H,7-10,14H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Board of Regents, The University of Texas System US Patent					Assay Description BRD4: 2.5 nM of BRD4(49-170) and 10 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in...				US Patent US10899769 (2021) BindingDB Entry DOI: 10.7270/Q2H41VJJ
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM480611 (1-(3-(1,3-dimethyl-1H- pyrazol-4-yl)-7- fluoroisoq...) Show SMILES CC1C(=O)N(C)Cc2c(nc(C3CCOCC3)n12)-c1c(F)ccc2cc(ncc12)-c1cn(C)nc1C |(.6,5.86,;.13,4.39,;-1.38,4.07,;-2.41,5.21,;-1.86,2.61,;-3.34,2.21,;-.82,1.46,;.68,1.78,;1.93,.88,;3.17,1.78,;2.7,3.25,;3.47,4.58,;5.01,4.58,;5.78,5.91,;5.01,7.25,;3.47,7.25,;2.7,5.91,;1.16,3.25,;1.93,-.66,;3.26,-1.43,;4.59,-.66,;3.26,-2.97,;1.93,-3.74,;.59,-2.97,;-.74,-3.74,;-2.07,-2.97,;-2.07,-1.43,;-.74,-.66,;.59,-1.43,;-3.41,-3.74,;-3.41,-5.28,;-4.87,-5.76,;-5.27,-7.25,;-5.78,-4.51,;-4.87,-3.27,;-5.27,-1.78,)| Show InChI InChI=1S/C27H29FN6O2/c1-15-20(13-33(4)31-15)22-11-18-5-6-21(28)24(19(18)12-29-22)25-23-14-32(3)27(35)16(2)34(23)26(30-25)17-7-9-36-10-8-17/h5-6,11-13,16-17H,7-10,14H2,1-4H3	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.61E+3	n/a	n/a	n/a	n/a	n/a	n/a
Board of Regents, The University of Texas System US Patent					Assay Description BRD4: 2.5 nM of BRD4(49-170) and 10 nM biotin-H4(1-21) Ac-K5/8/12/16 (AnaSpec. 64989) were incubated with varying concentrations of CBP inhibitors in...				US Patent US10899769 (2021) BindingDB Entry DOI: 10.7270/Q2H41VJJ
					More data for this Ligand-Target Pair