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BDBM15270 8-(butylamino)-7-chloro-3-oxo-11,17-dioxa-2,4,20,22-tetraazatricyclo[16.3.1.0^{5,10}]docosa-1(21),5(10),6,8,18(22),19-hexaene-19-carbonitrile::macrocyclic inhibitor 17c

SMILES: CCCCNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N

InChI Key: InChIKey=IXJVGFGPNKHQNK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 15270   
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
Serine/threonine-protein kinase Chk1


(Homo sapiens (Human))
BDBM15270
PNG
(8-(butylamino)-7-chloro-3-oxo-11,17-dioxa-2,4,20,2...)
Show SMILES CCCCNc1cc2OCCCCCOc3nc(NC(=O)Nc2cc1Cl)cnc3C#N
Show InChI InChI=1S/C21H25ClN6O3/c1-2-3-7-24-15-11-18-16(10-14(15)22)26-21(29)28-19-13-25-17(12-23)20(27-19)31-9-6-4-5-8-30-18/h10-11,13,24H,2-9H2,1H3,(H2,26,27,28,29)
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MMDB

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Similars

Article
PubMed
n/an/a 15n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
Chk1 kinase activity was assayed in reaction buffer containing substrate, enzyme, and inhibitor in the presence of 5uM ATP/[gamma-33P] ATP. 33P incor...


J Med Chem 50: 1514-27 (2007)


Article DOI: 10.1021/jm061247v
BindingDB Entry DOI: 10.7270/Q2P55KQW
More data for this
Ligand-Target Pair
3D
3D Structure (docked)