BindingDB logo
myBDB logout

BDBM50269392 CHEMBL4068447

SMILES: Cc1csc2c(nc(Cl)nc12)-n1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nc1N

InChI Key: InChIKey=HLRDOMFIYHUBLJ-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 = 50269392   
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
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50269392
PNG
(CHEMBL4068447)
Show SMILES Cc1csc2c(nc(Cl)nc12)-n1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nc1N |THB:24:27:30.31:33|
Show InChI InChI=1S/C26H30ClN9S/c1-15-14-37-22-21(15)30-24(27)31-23(22)36-25(28)32-26(33-36)29-18-4-6-19(7-5-18)34-8-10-35(11-9-34)20-13-16-2-3-17(20)12-16/h4-7,14,16-17,20H,2-3,8-13H2,1H3,(H3,28,29,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 170n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of Axl in human HeLa cells assessed as reduction in AKT phosphorylation at Ser 473 residues pre-incubated for 1 hr before preclustered ant...


Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50269392
PNG
(CHEMBL4068447)
Show SMILES Cc1csc2c(nc(Cl)nc12)-n1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nc1N |THB:24:27:30.31:33|
Show InChI InChI=1S/C26H30ClN9S/c1-15-14-37-22-21(15)30-24(27)31-23(22)36-25(28)32-26(33-36)29-18-4-6-19(7-5-18)34-8-10-35(11-9-34)20-13-16-2-3-17(20)12-16/h4-7,14,16-17,20H,2-3,8-13H2,1H3,(H3,28,29,32,33)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/an/an/a 65n/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of VEGF stimulated VEGFR2 phosphorylation at Y165 residues in HUVEC preincubated for 1 hr followed by VEGF addition measured after 5 mins ...


Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50269392
PNG
(CHEMBL4068447)
Show SMILES Cc1csc2c(nc(Cl)nc12)-n1nc(Nc2ccc(cc2)N2CCN(CC2)C2CC3CCC2C3)nc1N |THB:24:27:30.31:33|
Show InChI InChI=1S/C26H30ClN9S/c1-15-14-37-22-21(15)30-24(27)31-23(22)36-25(28)32-26(33-36)29-18-4-6-19(7-5-18)34-8-10-35(11-9-34)20-13-16-2-3-17(20)12-16/h4-7,14,16-17,20H,2-3,8-13H2,1H3,(H3,28,29,32,33)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 9n/an/an/an/an/an/a



Rigel Pharmaceuticals, 1180 Veterans Blvd., South San Francisco, CA 94080, USA. Electronic address: dagoff@att.net.

Curated by ChEMBL


Assay Description
Inhibition of N-terminal GST-tagged human Axl (464 to 885 end residues) cytoplasmic domain expressed in baculovirus expression system using HS1 pepti...


Bioorg Med Chem Lett 27: 3766-3771 (2017)


Article DOI: 10.1016/j.bmcl.2017.06.071
BindingDB Entry DOI: 10.7270/Q26D5WH0
More data for this
Ligand-Target Pair