BindingDB logo
myBDB logout

BDBM50201175 CHEMBL3961508

SMILES: CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1

InChI Key: InChIKey=UENPHVZMJZONSS-VWLOTQADSA-N

Data: 4 IC50  1 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 5 hits for monomerid = 50201175   
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
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50201175
PNG
(CHEMBL3961508)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1 |r|
Show InChI InChI=1S/C28H40N8O/c1-34-14-16-35(17-15-34)19-21-7-9-22(10-8-21)24-20-36-13-5-2-6-25(29)27(37)30-11-3-4-12-31-28-32-18-23(24)26(36)33-28/h7-10,18,20,25H,2-6,11-17,19,29H2,1H3,(H,30,37)(H,31,32,33)/t25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Flt3 (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor UFO


(Homo sapiens (Human))
BDBM50201175
PNG
(CHEMBL3961508)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1 |r|
Show InChI InChI=1S/C28H40N8O/c1-34-14-16-35(17-15-34)19-21-7-9-22(10-8-21)24-20-36-13-5-2-6-25(29)27(37)30-11-3-4-12-31-28-32-18-23(24)26(36)33-28/h7-10,18,20,25H,2-6,11-17,19,29H2,1H3,(H,30,37)(H,31,32,33)/t25-/m0/s1
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 150n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Axl (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase receptor TYRO3


(Homo sapiens (Human))
BDBM50201175
PNG
(CHEMBL3961508)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1 |r|
Show InChI InChI=1S/C28H40N8O/c1-34-14-16-35(17-15-34)19-21-7-9-22(10-8-21)24-20-36-13-5-2-6-25(29)27(37)30-11-3-4-12-31-28-32-18-23(24)26(36)33-28/h7-10,18,20,25H,2-6,11-17,19,29H2,1H3,(H,30,37)(H,31,32,33)/t25-/m0/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 130n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of Tyro3 (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50201175
PNG
(CHEMBL3961508)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1 |r|
Show InChI InChI=1S/C28H40N8O/c1-34-14-16-35(17-15-34)19-21-7-9-22(10-8-21)24-20-36-13-5-2-6-25(29)27(37)30-11-3-4-12-31-28-32-18-23(24)26(36)33-28/h7-10,18,20,25H,2-6,11-17,19,29H2,1H3,(H,30,37)(H,31,32,33)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/a>1.00E+3n/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of human MerTK kinase domain (1585 to 3000 residues) expressed in HEK293 cells co-expressing rat EGFR LBD assessed as inhibition of EGF-st...


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair
Tyrosine-protein kinase Mer


(Homo sapiens (Human))
BDBM50201175
PNG
(CHEMBL3961508)
Show SMILES CN1CCN(Cc2ccc(cc2)-c2cn3CCCC[C@H](N)C(=O)NCCCCNc4ncc2c3n4)CC1 |r|
Show InChI InChI=1S/C28H40N8O/c1-34-14-16-35(17-15-34)19-21-7-9-22(10-8-21)24-20-36-13-5-2-6-25(29)27(37)30-11-3-4-12-31-28-32-18-23(24)26(36)33-28/h7-10,18,20,25H,2-6,11-17,19,29H2,1H3,(H,30,37)(H,31,32,33)/t25-/m0/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 8.90n/an/an/an/an/an/a



University of North Carolina at Chapel Hill

Curated by ChEMBL


Assay Description
Inhibition of MerTK (unknown origin) by microfluidic capillary electrophoresis assay


ACS Med Chem Lett 7: 1044-1049 (2016)


Article DOI: 10.1021/acsmedchemlett.6b00221
BindingDB Entry DOI: 10.7270/Q208679K
More data for this
Ligand-Target Pair