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SMILES: Cc1c[nH]c2cccc(-c3nc(C(N)=O)c(o3)-c3ccc(cc3)N3CCNC(C)(C)C3)c12

InChI Key: InChIKey=AYVATFZLZLWIPA-UHFFFAOYSA-N

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 180867   
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
Aurora kinase A


(Homo sapiens (Human))
BDBM180867
PNG
(US9133180, 8)
Show SMILES Cc1c[nH]c2cccc(-c3nc(C(N)=O)c(o3)-c3ccc(cc3)N3CCNC(C)(C)C3)c12
Show InChI InChI=1S/C25H27N5O2/c1-15-13-27-19-6-4-5-18(20(15)19)24-29-21(23(26)31)22(32-24)16-7-9-17(10-8-16)30-12-11-28-25(2,3)14-30/h4-10,13,27-28H,11-12,14H2,1-3H3,(H2,26,31)
PDB
MMDB

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PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 271n/an/an/an/a7.525



SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 [K633Q]


(Homo sapiens (Human))
BDBM180867
PNG
(US9133180, 8)
Show SMILES Cc1c[nH]c2cccc(-c3nc(C(N)=O)c(o3)-c3ccc(cc3)N3CCNC(C)(C)C3)c12
Show InChI InChI=1S/C25H27N5O2/c1-15-13-27-19-6-4-5-18(20(15)19)24-29-21(23(26)31)22(32-24)16-7-9-17(10-8-16)30-12-11-28-25(2,3)14-30/h4-10,13,27-28H,11-12,14H2,1-3H3,(H2,26,31)
PDB

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KEGG

UniProtKB/SwissProt

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DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 0.550n/an/an/an/a7.525



SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair
Aurora kinase B


(Homo sapiens (Human))
BDBM180867
PNG
(US9133180, 8)
Show SMILES Cc1c[nH]c2cccc(-c3nc(C(N)=O)c(o3)-c3ccc(cc3)N3CCNC(C)(C)C3)c12
Show InChI InChI=1S/C25H27N5O2/c1-15-13-27-19-6-4-5-18(20(15)19)24-29-21(23(26)31)22(32-24)16-7-9-17(10-8-16)30-12-11-28-25(2,3)14-30/h4-10,13,27-28H,11-12,14H2,1-3H3,(H2,26,31)
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 14.2n/an/an/an/a7.525



SAREUM LIMITED

US Patent


Assay Description
Kinase assays were performed at Reaction Biology Corp., Malvern, Pa., USA, using the following general procedure:1) Prepare indicated substrate in fr...


US Patent US9133180 (2015)


BindingDB Entry DOI: 10.7270/Q2P55M9X
More data for this
Ligand-Target Pair