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BDBM15274 7-chloro-3-oxo-8-[(pyridin-3-ylmethyl)amino]-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 17g

SMILES: Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cccnc1)n3

InChI Key: InChIKey=KBIZEWFFKYHOLK-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 15274   
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))
BDBM15274
PNG
(7-chloro-3-oxo-8-[(pyridin-3-ylmethyl)amino]-11,17...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cccnc1)n3
Show InChI InChI=1S/C23H22ClN7O3/c24-16-9-18-20(10-17(16)27-13-15-5-4-6-26-12-15)33-7-2-1-3-8-34-22-19(11-25)28-14-21(30-22)31-23(32)29-18/h4-6,9-10,12,14,27H,1-3,7-8,13H2,(H2,29,30,31,32)
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PC sid
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Similars

Article
PubMed
n/an/a 12n/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)