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SMILES: CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCCOCCOCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12)NC(C)=O

InChI Key: InChIKey=HJEAYMATMQIZCK-WPBXQMBASA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50070084   
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
Cyclin-dependent kinase 1/G2/mitotic-specific cyclin-B1/G2/mitotic-specific cyclin-B2/G2/mitotic-specific cyclin-B3


(Homo sapiens (Human))		BDBM50070084
PNG
(3,4-bis(indol-3-yl)maleimide derivative | CHEMBL38...)
Show SMILES CNC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCCN)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CSCCOCCOCCOCCn1cc(C2=C(C(=O)NC2=O)c2c[nH]c3ccccc23)c2ccccc12)NC(C)=O |t:47|
Show InChI InChI=1S/C51H70N10O10S/c1-33(62)56-41(51(68)61-21-11-18-43(61)48(65)58-40(16-8-10-20-53)47(64)57-39(46(63)54-2)15-7-9-19-52)32-72-29-28-71-27-26-70-25-24-69-23-22-60-31-37(35-13-4-6-17-42(35)60)45-44(49(66)59-50(45)67)36-30-55-38-14-5-3-12-34(36)38/h3-6,12-14,17,30-31,39-41,43,55H,7-11,15-16,18-29,32,52-53H2,1-2H3,(H,54,63)(H,56,62)(H,57,64)(H,58,65)(H,59,66,67)/t39-,40-,41-,43-/m0/s1
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PC cid
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UniChem

Similars
PubMed
n/an/a 3.10E+4n/an/an/an/an/an/a



Kyushu University

Curated by ChEMBL


Assay Description
Inhibitory concentration was determined by measuring phoshporylation of H1 histone using active human Cell division cycle 2-cyclin B complex

Bioorg Med Chem Lett 8: 1019-22 (1999)


BindingDB Entry DOI: 10.7270/Q27W6BBN
More data for this
Ligand-Target Pair