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SMILES: Cc1nnc2[C@H](Cc3nnc(COCc4ccccc4)o3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12

InChI Key: InChIKey=HCMYCNKPGFMYNM-QFIPXVFZSA-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 = 329792   
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))		BDBM329792
PNG
(Preparation of (4R)-4-({5-[(benzyloxy)methyl]-1,3,...)
Show SMILES Cc1nnc2[C@H](Cc3nnc(COCc4ccccc4)o3)C=C(c3ccc(Cl)cc3)c3ccccc3-n12 |r,t:23|
Show InChI InChI=1S/C29H24ClN5O2/c1-19-31-34-29-22(16-27-32-33-28(37-27)18-36-17-20-7-3-2-4-8-20)15-25(21-11-13-23(30)14-12-21)24-9-5-6-10-26(24)35(19)29/h2-15,22H,16-18H2,1H3/t22-/m0/s1
PDB

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UniProtKB/SwissProt

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PC cid
PC sid
UniChem
US Patent
n/an/a 270n/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