BDBM209466 US10328074, Example III-7::US9266891, III-7

SMILES: CNc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1

InChI Key: InChIKey=GPMKACUDCQFCCA-UHFFFAOYSA-N

Data: 2 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 = 209466   

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 [44-168]/Histone H4 (Homo sapiens (Human))	BDBM209466 (US10328074, Example III-7 | US11077107, Example II...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H19N7/c1-14-25-26-21-19(22-2)23-17(13-27(14)21)20-24-16-10-6-7-11-18(16)28(20)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,23)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim International GmbH US Patent					Assay Description Compounds are diluted in serial dilution 1:5 in assay buffer from 10 mM stock in DMSO (100 uM start concentration) in white OptiPlate-384 (PerkinElme...				US Patent US9266891 (2016) BindingDB Entry DOI: 10.7270/Q23X85G7
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [44-168] (Homo sapiens (Human))	BDBM209466 (US10328074, Example III-7 | US11077107, Example II...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H19N7/c1-14-25-26-21-19(22-2)23-17(13-27(14)21)20-24-16-10-6-7-11-18(16)28(20)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,23)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Bromodomain-containing protein 4 [42-168] (Homo sapiens (Human))	BDBM209466 (US10328074, Example III-7 | US11077107, Example II...) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C21H19N7/c1-14-25-26-21-19(22-2)23-17(13-27(14)21)20-24-16-10-6-7-11-18(16)28(20)12-15-8-4-3-5-9-15/h3-11,13H,12H2,1-2H3,(H,22,23)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University					Assay Description This assay is used to determine whether the compounds inhibit the interaction between the first (BRD4-BD1) or the second (BRD4-BD2) bromodomain of BR...				Bioorg Med Chem 17: 7324-36 (2009) BindingDB Entry DOI: 10.7270/Q20Z75M2
					More data for this Ligand-Target Pair