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SMILES: COC(=O)C1(CC1)c1ccc(cc1)-c1cn([C@@H](C)c2ccccn2)c2cc(cnc12)-c1c(C)noc1C

InChI Key: InChIKey=KVFBROLQMTTZAN-IBGZPJMESA-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 = 425742   
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 [1-477]


(Homo sapiens (Human))		BDBM425742
PNG
(US10519177, Compound P-0942 | methyl 1-[4-[6-(3,5-...)
Show SMILES COC(=O)C1(CC1)c1ccc(cc1)-c1cn([C@@H](C)c2ccccn2)c2cc(cnc12)-c1c(C)noc1C |r|
Show InChI InChI=1S/C30H28N4O3/c1-18-27(20(3)37-33-18)22-15-26-28(32-16-22)24(17-34(26)19(2)25-7-5-6-14-31-25)21-8-10-23(11-9-21)30(12-13-30)29(35)36-4/h5-11,14-17,19H,12-13H2,1-4H3/t19-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
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PC cid
PC sid
UniChem
US Patent
n/an/a<1.00E+3n/an/an/an/an/an/a



Plexxikon Inc.

US Patent




US Patent US10519177 (2019)


BindingDB Entry DOI: 10.7270/Q2154KDK
More data for this
Ligand-Target Pair