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BDBM50500353 CHEMBL3746395::US11066363, Compound 10

SMILES: CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnoc1

InChI Key: InChIKey=BMWIOANJDKPITJ-UHFFFAOYSA-N

Data: 3 IC50

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

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 50500353   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
EML4-ALK


(Homo sapiens (Human))
BDBM50500353
PNG
(CHEMBL3746395 | US11066363, Compound 10)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnoc1
Show InChI InChI=1S/C24H19N3O2/c1-4-14-8-18-19(9-17(14)15-11-26-29-12-15)24(2,3)23-21(22(18)28)16-6-5-13(10-25)7-20(16)27-23/h5-9,11-12,27H,4H2,1-3H3
PDB

UniProtKB/SwissProt

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59n/an/an/an/an/an/a



Dana-Farber Cancer Institute

Curated by ChEMBL


Assay Description
Inhibition of wild type EML4-ALK (unknown origin) expressed in mouse Ba/F3 cells assessed as cell viability after 72 hrs by MTS assay


J Med Chem 58: 9296-9308 (2015)


Article DOI: 10.1021/acs.jmedchem.5b01136
BindingDB Entry DOI: 10.7270/Q2BC42J1
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SRPK2


(Homo sapiens (Human))
BDBM50500353
PNG
(CHEMBL3746395 | US11066363, Compound 10)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnoc1
Show InChI InChI=1S/C24H19N3O2/c1-4-14-8-18-19(9-17(14)15-11-26-29-12-15)24(2,3)23-21(22(18)28)16-6-5-13(10-25)7-20(16)27-23/h5-9,11-12,27H,4H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

DrugBank
antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 14.5n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
SRPK1 Inhibitory Activities of the Compounds.


US Patent US11066363 (2021)

More data for this
Ligand-Target Pair
Serine/threonine-protein kinase SRPK1


(Homo sapiens (Human))
BDBM50500353
PNG
(CHEMBL3746395 | US11066363, Compound 10)
Show SMILES CCc1cc2C(=O)c3c([nH]c4cc(ccc34)C#N)C(C)(C)c2cc1-c1cnoc1
Show InChI InChI=1S/C24H19N3O2/c1-4-14-8-18-19(9-17(14)15-11-26-29-12-15)24(2,3)23-21(22(18)28)16-6-5-13(10-25)7-20(16)27-23/h5-9,11-12,27H,4H2,1-3H3
PDB
MMDB

KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
PC cid
PC sid
UniChem
US Patent
n/an/a 5.09n/an/an/an/an/an/a



DANA-FARBER CANCER INSTITUTE, INC.

US Patent


Assay Description
SRPK1 Inhibitory Activities of the Compounds.


US Patent US11066363 (2021)

More data for this
Ligand-Target Pair