BDBM209506 US9266891, III-47

SMILES: CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCN(C)CC1

InChI Key: InChIKey=WIHQCRGWXGPCAU-UHFFFAOYSA-N

Data: 1 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 2 hits for monomerid = 209506   

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))	US11077107, Example III-47 (US9266891, III-47) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N11/c1-16-30-31-24-22(25-2)28-19(15-34(16)24)23-29-18-13-27-21(33-9-7-32(3)8-10-33)11-20(18)35(23)14-17-5-4-6-26-12-17/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,25,28)	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
BRD4-BD1 and Histone H4 (Homo sapiens (Human))	BDBM209506 (US9266891, III-47) Show SMILES CNc1nc(cn2c(C)nnc12)-c1nc2cnc(cc2n1Cc1cccnc1)N1CCN(C)CC1 Show InChI InChI=1S/C24H27N11/c1-16-30-31-24-22(25-2)28-19(15-34(16)24)23-29-18-13-27-21(33-9-7-32(3)8-10-33)11-20(18)35(23)14-17-5-4-6-26-12-17/h4-6,11-13,15H,7-10,14H2,1-3H3,(H,25,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	12	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