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BDBM15279 7-chloro-8-[(1,3-oxazol-5-ylmethyl)amino]-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 17l

SMILES: Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cnco1)n3

InChI Key: InChIKey=DDTPXZJCQQTFNY-UHFFFAOYSA-N

Data: 1 IC50

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 15279   
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)
BDBM15279
PNG
(7-chloro-8-[(1,3-oxazol-5-ylmethyl)amino]-3-oxo-11...)
Show SMILES Clc1cc2NC(=O)Nc3cnc(C#N)c(OCCCCCOc2cc1NCc1cnco1)n3
Show InChI InChI=1S/C21H20ClN7O4/c22-14-6-16-18(7-15(14)25-10-13-9-24-12-33-13)31-4-2-1-3-5-32-20-17(8-23)26-11-19(28-20)29-21(30)27-16/h6-7,9,11-12,25H,1-5,10H2,(H2,27,28,29,30)
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Similars

Article
PubMed
n/an/a 7n/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