BDBM274323 Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)-2-(2-methoxypyridin-3-yl)-3-methyl-4-oxo-5,6-dihydropyrrolo[3,4-b]pyrrole-1(4H)-carboxylate::US9550796, Example 124

SMILES: CCOC(=O)n1c2C(N(C(=O)c2c(C)c1-c1cccnc1OC)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1

InChI Key: InChIKey=VBNIZIAZOQSIGW-UHFFFAOYSA-N

Data: 3 IC50

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 3 hits for monomerid = 274323   

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 (Homo sapiens (Human))	BDBM274323 (Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tr...) Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1-c1cccnc1OC)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |(.92,-4.8,;2.01,-3.71,;1.61,-2.22,;2.7,-1.14,;4.18,-1.53,;2.3,.35,;.83,.83,;-.63,.35,;-1.54,1.6,;-.63,2.84,;-1.4,4.18,;.83,2.37,;2.3,2.84,;3.07,4.18,;3.2,1.6,;4.74,1.6,;5.51,.26,;7.05,.26,;7.82,1.6,;7.05,2.93,;5.51,2.93,;4.74,4.26,;5.51,5.6,;-3.08,1.6,;-3.85,2.93,;-5.39,2.93,;-6.16,4.26,;-6.16,1.6,;-7.66,1.28,;-7.82,-.25,;-6.42,-.88,;-6.02,-2.37,;-5.39,.26,;-3.85,.26,;-1.03,-1.14,;.06,-2.22,;-.34,-3.71,;-1.83,-4.11,;-2.23,-5.6,;-2.92,-3.02,;-2.52,-1.53,)| Show InChI InChI=1S/C30H27ClN6O4/c1-6-41-30(39)37-24(22-8-7-13-32-28(22)40-5)17(3)23-26(37)25(19-9-11-20(31)12-10-19)36(29(23)38)21-14-16(2)27-34-33-18(4)35(27)15-21/h7-15,25H,6H2,1-5H3	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
CREB-binding protein (Homo sapiens (Human))	BDBM274323 (Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tr...) Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1-c1cccnc1OC)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |(.92,-4.8,;2.01,-3.71,;1.61,-2.22,;2.7,-1.14,;4.18,-1.53,;2.3,.35,;.83,.83,;-.63,.35,;-1.54,1.6,;-.63,2.84,;-1.4,4.18,;.83,2.37,;2.3,2.84,;3.07,4.18,;3.2,1.6,;4.74,1.6,;5.51,.26,;7.05,.26,;7.82,1.6,;7.05,2.93,;5.51,2.93,;4.74,4.26,;5.51,5.6,;-3.08,1.6,;-3.85,2.93,;-5.39,2.93,;-6.16,4.26,;-6.16,1.6,;-7.66,1.28,;-7.82,-.25,;-6.42,-.88,;-6.02,-2.37,;-5.39,.26,;-3.85,.26,;-1.03,-1.14,;.06,-2.22,;-.34,-3.71,;-1.83,-4.11,;-2.23,-5.6,;-2.92,-3.02,;-2.52,-1.53,)| Show InChI InChI=1S/C30H27ClN6O4/c1-6-41-30(39)37-24(22-8-7-13-32-28(22)40-5)17(3)23-26(37)25(19-9-11-20(31)12-10-19)36(29(23)38)21-14-16(2)27-34-33-18(4)35(27)15-21/h7-15,25H,6H2,1-5H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	7.5	30
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair
Bromodomain-containing protein 3 (Homo sapiens (Human))	BDBM274323 (Ethyl 6-(4-chlorophenyl)-5-(3,8-dimethyl-[1,2,4]tr...) Show SMILES CCOC(=O)n1c2C(N(C(=O)c2c(C)c1-c1cccnc1OC)c1cc(C)c2nnc(C)n2c1)c1ccc(Cl)cc1 |(.92,-4.8,;2.01,-3.71,;1.61,-2.22,;2.7,-1.14,;4.18,-1.53,;2.3,.35,;.83,.83,;-.63,.35,;-1.54,1.6,;-.63,2.84,;-1.4,4.18,;.83,2.37,;2.3,2.84,;3.07,4.18,;3.2,1.6,;4.74,1.6,;5.51,.26,;7.05,.26,;7.82,1.6,;7.05,2.93,;5.51,2.93,;4.74,4.26,;5.51,5.6,;-3.08,1.6,;-3.85,2.93,;-5.39,2.93,;-6.16,4.26,;-6.16,1.6,;-7.66,1.28,;-7.82,-.25,;-6.42,-.88,;-6.02,-2.37,;-5.39,.26,;-3.85,.26,;-1.03,-1.14,;.06,-2.22,;-.34,-3.71,;-1.83,-4.11,;-2.23,-5.6,;-2.92,-3.02,;-2.52,-1.53,)| Show InChI InChI=1S/C30H27ClN6O4/c1-6-41-30(39)37-24(22-8-7-13-32-28(22)40-5)17(3)23-26(37)25(19-9-11-20(31)12-10-19)36(29(23)38)21-14-16(2)27-34-33-18(4)35(27)15-21/h7-15,25H,6H2,1-5H3	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	7.5	n/a
NOVARTIS AG US Patent					Assay Description All assays were performed in 384-well microtiter plates. Each assay plate contained 8-point serial dilutions for 40 test compounds, plus 16 high- and...				US Patent US9550796 (2017) BindingDB Entry DOI: 10.7270/Q2QN68SK
					More data for this Ligand-Target Pair