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BDBM50384715 CHEMBL2037201

SMILES: Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)N3CCCNCC3)c2c1

InChI Key: InChIKey=IRPPYJZDFMMBBV-RCCKNPSSSA-N

Data: 4 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 4 hits for monomerid = 50384715   
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
Serine/threonine-protein kinase pim-1


(Homo sapiens (Human))
BDBM50384715
PNG
(CHEMBL2037201)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)N3CCCNCC3)c2c1
Show InChI InChI=1S/C25H22ClN3O3/c26-18-5-7-22-20(14-18)21(24(30)28-22)15-19-6-8-23(32-19)16-3-1-4-17(13-16)25(31)29-11-2-9-27-10-12-29/h1,3-8,13-15,27H,2,9-12H2,(H,28,30)/b21-15+
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 5n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim1 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)


Article DOI: 10.1021/ml200259q
BindingDB Entry DOI: 10.7270/Q2X92CBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-3


(Homo sapiens (Human))
BDBM50384715
PNG
(CHEMBL2037201)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)N3CCCNCC3)c2c1
Show InChI InChI=1S/C25H22ClN3O3/c26-18-5-7-22-20(14-18)21(24(30)28-22)15-19-6-8-23(32-19)16-3-1-4-17(13-16)25(31)29-11-2-9-27-10-12-29/h1,3-8,13-15,27H,2,9-12H2,(H,28,30)/b21-15+
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Pim3 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)


Article DOI: 10.1021/ml200259q
BindingDB Entry DOI: 10.7270/Q2X92CBW
More data for this
Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3


(Homo sapiens (Human))
BDBM50384715
PNG
(CHEMBL2037201)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)N3CCCNCC3)c2c1
Show InChI InChI=1S/C25H22ClN3O3/c26-18-5-7-22-20(14-18)21(24(30)28-22)15-19-6-8-23(32-19)16-3-1-4-17(13-16)25(31)29-11-2-9-27-10-12-29/h1,3-8,13-15,27H,2,9-12H2,(H,28,30)/b21-15+
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

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



TBA

Curated by ChEMBL


Assay Description
Inhibition of Flt3 using EAIYAAPFAKKK as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)


Article DOI: 10.1021/ml200259q
BindingDB Entry DOI: 10.7270/Q2X92CBW
More data for this
Ligand-Target Pair
Serine/threonine-protein kinase pim-2


(Homo sapiens (Human))
BDBM50384715
PNG
(CHEMBL2037201)
Show SMILES Clc1ccc2NC(=O)\C(=C\c3ccc(o3)-c3cccc(c3)C(=O)N3CCCNCC3)c2c1
Show InChI InChI=1S/C25H22ClN3O3/c26-18-5-7-22-20(14-18)21(24(30)28-22)15-19-6-8-23(32-19)16-3-1-4-17(13-16)25(31)29-11-2-9-27-10-12-29/h1,3-8,13-15,27H,2,9-12H2,(H,28,30)/b21-15+
PDB
MMDB

KEGG

UniProtKB/SwissProt
UniProtKB/TrEMBL

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

Similars

Article
PubMed
n/an/a 22n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibition of human recombinant Pim2 using RSRHSSYPAGT as substrate by radiometric assay


ACS Med Chem Lett 3: 135-139 (2012)


Article DOI: 10.1021/ml200259q
BindingDB Entry DOI: 10.7270/Q2X92CBW
More data for this
Ligand-Target Pair