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BDBM223100 Phenyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoyl)thiazol-2-yl)amino)-2-methylpyrimidin-4-yl)pyrrolidine-1-carboxylate (5g)

SMILES: Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)Oc1ccccc1

InChI Key: InChIKey=BPQBMWJXOIQOCG-UHFFFAOYNA-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 = 223100   
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
Epithelial discoidin domain-containing receptor 1


(Homo sapiens)
BDBM223100
PNG
(Phenyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)Oc1ccccc1
Show InChI InChI=1/C27H25ClN6O3S/c1-16-7-6-10-20(28)24(16)33-25(35)22-14-29-26(38-22)32-23-13-21(30-17(2)31-23)18-11-12-34(15-18)27(36)37-19-8-4-3-5-9-19/h3-10,13-14,18H,11-12,15H2,1-2H3,(H,33,35)(H,29,30,31,32)
PDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 7.51n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences



Assay Description
The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...


Chem Biol Drug Des 89: 420-427 (2017)

More data for this
Ligand-Target Pair
Tyrosine-protein kinase ABL1


(Homo sapiens (Human))
BDBM223100
PNG
(Phenyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)Oc1ccccc1
Show InChI InChI=1/C27H25ClN6O3S/c1-16-7-6-10-20(28)24(16)33-25(35)22-14-29-26(38-22)32-23-13-21(30-17(2)31-23)18-11-12-34(15-18)27(36)37-19-8-4-3-5-9-19/h3-10,13-14,18H,11-12,15H2,1-2H3,(H,33,35)(H,29,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 0.5n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences



Assay Description
ABL activity assays were performed in 384-well plate using the FRET-based Z'-Lyteassay system and Tyr-2 peptide substrate according to the manufa...


Chem Biol Drug Des 89: 420-427 (2017)

More data for this
Ligand-Target Pair
Discoidin domain-containing receptor 2


(Homo sapiens)
BDBM223100
PNG
(Phenyl 3-(6-((5-((2-chloro-6-methylphenyl)carbamoy...)
Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2c(C)cccc2Cl)cc(n1)C1CCN(C1)C(=O)Oc1ccccc1
Show InChI InChI=1/C27H25ClN6O3S/c1-16-7-6-10-20(28)24(16)33-25(35)22-14-29-26(38-22)32-23-13-21(30-17(2)31-23)18-11-12-34(15-18)27(36)37-19-8-4-3-5-9-19/h3-10,13-14,18H,11-12,15H2,1-2H3,(H,33,35)(H,29,30,31,32)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem
Article
PubMed
n/an/a 59.9n/an/an/an/an/an/a



Guangzhou Institutes of Biomedicine and Health, Chinese Academy of Sciences



Assay Description
The effects of compounds on the kinases DDR1 and DDR2 were assessed by using a LanthaScreen Eu kinase activity assay technology (Invitrogen, Carlsbad...


Chem Biol Drug Des 89: 420-427 (2017)

More data for this
Ligand-Target Pair