BindingDB logo
myBDB logout

BDBM50188748 1-((5-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihydroindeno[1,2-c]pyrazol-3-yl)thiophen-2-yl)methyl)-3-(3-(trifluoromethyl)phenyl)urea::CHEMBL212986

SMILES: CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(CNC(=O)Nc4cccc(c4)C(F)(F)F)s3)c2)CC1

InChI Key: InChIKey=YBPBYWHVRLZISQ-UHFFFAOYSA-N

Data: 3 IC50

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 = 50188748   
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
Vascular endothelial growth factor receptor 1


(Homo sapiens (Human))
BDBM50188748
PNG
(1-((5-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(CNC(=O)Nc4cccc(c4)C(F)(F)F)s3)c2)CC1
Show InChI InChI=1S/C29H29F3N6OS/c1-37-9-11-38(12-10-37)17-18-5-7-23-19(13-18)14-24-26(23)35-36-27(24)25-8-6-22(40-25)16-33-28(39)34-21-4-2-3-20(15-21)29(30,31)32/h2-8,13,15H,9-12,14,16-17H2,1H3,(H,35,36)(H2,33,34,39)
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 863n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of FLT1 at 1mM ATP by HTRF assay


Bioorg Med Chem Lett 16: 4266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.066
BindingDB Entry DOI: 10.7270/Q2NP242Q
More data for this
Ligand-Target Pair
Vascular endothelial growth factor receptor 2


(Homo sapiens (Human))
BDBM50188748
PNG
(1-((5-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(CNC(=O)Nc4cccc(c4)C(F)(F)F)s3)c2)CC1
Show InChI InChI=1S/C29H29F3N6OS/c1-37-9-11-38(12-10-37)17-18-5-7-23-19(13-18)14-24-26(23)35-36-27(24)25-8-6-22(40-25)16-33-28(39)34-21-4-2-3-20(15-21)29(30,31)32/h2-8,13,15H,9-12,14,16-17H2,1H3,(H,35,36)(H2,33,34,39)
PDB
MMDB

NCI pathway
Reactome pathway
KEGG

UniProtKB/SwissProt

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

Similars

Article
PubMed
n/an/a 34n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of KDR at 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 16: 4266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.066
BindingDB Entry DOI: 10.7270/Q2NP242Q
More data for this
Ligand-Target Pair
Mast/stem cell growth factor receptor Kit


(Homo sapiens (Human))
BDBM50188748
PNG
(1-((5-(6-((4-methylpiperazin-1-yl)methyl)-1,4-dihy...)
Show SMILES CN1CCN(Cc2ccc-3c(Cc4c-3n[nH]c4-c3ccc(CNC(=O)Nc4cccc(c4)C(F)(F)F)s3)c2)CC1
Show InChI InChI=1S/C29H29F3N6OS/c1-37-9-11-38(12-10-37)17-18-5-7-23-19(13-18)14-24-26(23)35-36-27(24)25-8-6-22(40-25)16-33-28(39)34-21-4-2-3-20(15-21)29(30,31)32/h2-8,13,15H,9-12,14,16-17H2,1H3,(H,35,36)(H2,33,34,39)
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 17n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Inhibition of cKit at 1 mM ATP by HTRF assay


Bioorg Med Chem Lett 16: 4266-71 (2006)


Article DOI: 10.1016/j.bmcl.2006.05.066
BindingDB Entry DOI: 10.7270/Q2NP242Q
More data for this
Ligand-Target Pair