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SMILES: Cc1nnc2[C@@H](CC(=O)N3CC4(COC4)C3)C=C(c3cccc(Cl)c3)c3ccccc3-n12

InChI Key: InChIKey=COSYDWNXZMVZAS-GOSISDBHSA-N

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 329747   
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


(Homo sapiens (Human))		BDBM329747
PNG
(Preparation of (−)-2-[(4R)-6-(3-chlorophenyl...)
Show SMILES Cc1nnc2[C@@H](CC(=O)N3CC4(COC4)C3)C=C(c3cccc(Cl)c3)c3ccccc3-n12 |r,t:18|
Show InChI InChI=1S/C25H23ClN4O2/c1-16-27-28-24-18(11-23(31)29-12-25(13-29)14-32-15-25)10-21(17-5-4-6-19(26)9-17)20-7-2-3-8-22(20)30(16)24/h2-10,18H,11-15H2,1H3/t18-/m1/s1
PDB

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US Patent
n/an/a 300n/an/an/an/an/an/a



BAYER PHARMA AKTIENGESELLSCHAFT

US Patent


Assay Description
For this purpose, a time-resolved fluorescence resonance energy transfer (TR-FRET) assay was used, which measures the binding between N-terminally Hi...

US Patent US9663523 (2017)


BindingDB Entry DOI: 10.7270/Q2NC639V
More data for this
Ligand-Target Pair