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SMILES: COC[C@H](C)n1c(nc2ccc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1

InChI Key: InChIKey=NUNUKCBYVMEGOT-INIZCTEOSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 215690   
Target/Host
(Institution)		LigandTarget/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		pHTemp
°C
Bromodomain-containing protein 4 [44-168]


(Homo sapiens (Human))		BDBM215690
PNG
(US9296748, I-26)
Show SMILES COC[C@H](C)n1c(nc2ccc(cc12)C1CCOCC1)-c1cc(C)c(=O)n(C)c1 |r|
Show InChI InChI=1S/C23H29N3O3/c1-15-11-19(13-25(3)23(15)27)22-24-20-6-5-18(17-7-9-29-10-8-17)12-21(20)26(22)16(2)14-28-4/h5-6,11-13,16-17H,7-10,14H2,1-4H3/t16-/m0/s1
PDB

UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 96n/an/an/an/an/an/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 μM start concentration) in white OptiPlate-384 (Perki...

US Patent US9296748 (2016)


BindingDB Entry DOI: 10.7270/Q21G0K4K
More data for this
Ligand-Target Pair