null

SMILES: CN(C)C(=O)CN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23

InChI Key: InChIKey=MSVHDDDLGWCQTK-JOCHJYFZSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 318610   

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
Bromodomain-containing protein 4 [49-170] (Homo sapiens (Human))	BDBM318610 (2-{4-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin...) Show SMILES CN(C)C(=O)CN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:28.30,(4.35,7.64,;5.12,6.31,;6.66,6.31,;4.35,4.98,;5.12,3.64,;2.81,4.98,;2.04,3.64,;2.81,2.31,;2.04,.98,;.48,.98,;-.27,2.31,;.5,3.64,;-.29,-.36,;.48,-1.69,;-.29,-3.02,;-.29,-4.56,;-1.62,-5.33,;-2.96,-4.56,;-4.29,-5.33,;-4.29,-6.87,;-2.96,-7.64,;-5.75,-7.35,;-6.66,-6.1,;-5.75,-4.86,;-6.52,-3.53,;-2.96,-3.02,;-4.29,-2.25,;-4.29,-.71,;-2.96,.06,;-2.96,1.6,;-4.29,2.37,;-4.29,3.91,;-2.96,4.68,;-1.62,3.91,;-1.62,2.37,;-1.62,-.71,;-1.62,-2.25,)| Show InChI InChI=1S/C27H31N7O3/c1-17-24(18(2)37-30-17)19-8-9-21-25-26(19)36-16-22(20-7-5-6-10-28-20)34(25)27(29-21)33-13-11-32(12-14-33)15-23(35)31(3)4/h5-10,22H,11-16H2,1-4H3/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9624241 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89QB
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM318610 (2-{4-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin...) Show SMILES CN(C)C(=O)CN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:28.30,(4.35,7.64,;5.12,6.31,;6.66,6.31,;4.35,4.98,;5.12,3.64,;2.81,4.98,;2.04,3.64,;2.81,2.31,;2.04,.98,;.48,.98,;-.27,2.31,;.5,3.64,;-.29,-.36,;.48,-1.69,;-.29,-3.02,;-.29,-4.56,;-1.62,-5.33,;-2.96,-4.56,;-4.29,-5.33,;-4.29,-6.87,;-2.96,-7.64,;-5.75,-7.35,;-6.66,-6.1,;-5.75,-4.86,;-6.52,-3.53,;-2.96,-3.02,;-4.29,-2.25,;-4.29,-.71,;-2.96,.06,;-2.96,1.6,;-4.29,2.37,;-4.29,3.91,;-2.96,4.68,;-1.62,3.91,;-1.62,2.37,;-1.62,-.71,;-1.62,-2.25,)| Show InChI InChI=1S/C27H31N7O3/c1-17-24(18(2)37-30-17)19-8-9-21-25-26(19)36-16-22(20-7-5-6-10-28-20)34(25)27(29-21)33-13-11-32(12-14-33)15-23(35)31(3)4/h5-10,22H,11-16H2,1-4H3/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Holdings Corporation; Incyte Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...				US Patent US10464947 (2019) BindingDB Entry DOI: 10.7270/Q2TT4TB8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [42-168] (Homo sapiens (Human))	BDBM318610 (2-{4-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin...) Show SMILES CN(C)C(=O)CN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:28.30,(4.35,7.64,;5.12,6.31,;6.66,6.31,;4.35,4.98,;5.12,3.64,;2.81,4.98,;2.04,3.64,;2.81,2.31,;2.04,.98,;.48,.98,;-.27,2.31,;.5,3.64,;-.29,-.36,;.48,-1.69,;-.29,-3.02,;-.29,-4.56,;-1.62,-5.33,;-2.96,-4.56,;-4.29,-5.33,;-4.29,-6.87,;-2.96,-7.64,;-5.75,-7.35,;-6.66,-6.1,;-5.75,-4.86,;-6.52,-3.53,;-2.96,-3.02,;-4.29,-2.25,;-4.29,-.71,;-2.96,.06,;-2.96,1.6,;-4.29,2.37,;-4.29,3.91,;-2.96,4.68,;-1.62,3.91,;-1.62,2.37,;-1.62,-.71,;-1.62,-2.25,)| Show InChI InChI=1S/C27H31N7O3/c1-17-24(18(2)37-30-17)19-8-9-21-25-26(19)36-16-22(20-7-5-6-10-28-20)34(25)27(29-21)33-13-11-32(12-14-33)15-23(35)31(3)4/h5-10,22H,11-16H2,1-4H3/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Holdings Corporation; Incyte Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 40 μL for BD1 and 60 μL for BD2. Inhib...				US Patent US10464947 (2019) BindingDB Entry DOI: 10.7270/Q2TT4TB8
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [342-460] (Homo sapiens (Human))	BDBM318610 (2-{4-[(4S)-7-(3,5-Dimethylisoxazol-4-yl)-4-pyridin...) Show SMILES CN(C)C(=O)CN1CCN(CC1)c1nc2ccc(-c3c(C)noc3C)c3OC[C@H](c4ccccn4)n1c23 |r,wD:28.30,(4.35,7.64,;5.12,6.31,;6.66,6.31,;4.35,4.98,;5.12,3.64,;2.81,4.98,;2.04,3.64,;2.81,2.31,;2.04,.98,;.48,.98,;-.27,2.31,;.5,3.64,;-.29,-.36,;.48,-1.69,;-.29,-3.02,;-.29,-4.56,;-1.62,-5.33,;-2.96,-4.56,;-4.29,-5.33,;-4.29,-6.87,;-2.96,-7.64,;-5.75,-7.35,;-6.66,-6.1,;-5.75,-4.86,;-6.52,-3.53,;-2.96,-3.02,;-4.29,-2.25,;-4.29,-.71,;-2.96,.06,;-2.96,1.6,;-4.29,2.37,;-4.29,3.91,;-2.96,4.68,;-1.62,3.91,;-1.62,2.37,;-1.62,-.71,;-1.62,-2.25,)| Show InChI InChI=1S/C27H31N7O3/c1-17-24(18(2)37-30-17)19-8-9-21-25-26(19)36-16-22(20-7-5-6-10-28-20)34(25)27(29-21)33-13-11-32(12-14-33)15-23(35)31(3)4/h5-10,22H,11-16H2,1-4H3/t22-/m1/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
Incyte Corporation; Incyte Holdings Corporation US Patent					Assay Description BRD4-BD1 and BRD4-BD2 assays were conducted in white 384-well polystyrene plate in a final volume of 20 μL for BD1 and 40 μL for BD2. Inhib...				US Patent US9624241 (2017) BindingDB Entry DOI: 10.7270/Q2NZ89QB
					More data for this Ligand-Target Pair