BindingDB logo
myBDB logout

BDBM50097988 (R)-4-[(R)-4-Amino-5-(4-hydroxy-phenyl)-pyrrolo[2,3-d]pyrimidin-7-yl]-2-ethoxycarbonylmethyl-pyrrolidine-1-carboxylic acid tert-butyl ester::CHEMBL352666

SMILES: CCOC(=O)C[C@H]1C[C@@H](CN1C(=O)OC(C)(C)C)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12

InChI Key: InChIKey=QQIZZZZYZWSQLD-SJORKVTESA-N

Data: 2 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 2 hits for monomerid = 50097988   
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
Proto-oncogene tyrosine-protein kinase Src


(Homo sapiens (Human))
BDBM50097988
PNG
((R)-4-[(R)-4-Amino-5-(4-hydroxy-phenyl)-pyrrolo[2,...)
Show SMILES CCOC(=O)C[C@H]1C[C@@H](CN1C(=O)OC(C)(C)C)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C25H31N5O5/c1-5-34-20(32)11-16-10-17(12-30(16)24(33)35-25(2,3)4)29-13-19(15-6-8-18(31)9-7-15)21-22(26)27-14-28-23(21)29/h6-9,13-14,16-17,31H,5,10-12H2,1-4H3,(H2,26,27,28)/t16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

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

Similars

PubMed
n/an/a 35n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Inhibition of p60 c-Src tyrosine kinase enzyme activity in liquid-phase tyrosine phosphorylation assay at 830 ng/mL


Bioorg Med Chem Lett 11: 853-6 (2001)


BindingDB Entry DOI: 10.7270/Q29P30XJ
More data for this
Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src


(Gallus gallus (Chicken))
BDBM50097988
PNG
((R)-4-[(R)-4-Amino-5-(4-hydroxy-phenyl)-pyrrolo[2,...)
Show SMILES CCOC(=O)C[C@H]1C[C@@H](CN1C(=O)OC(C)(C)C)n1cc(-c2ccc(O)cc2)c2c(N)ncnc12
Show InChI InChI=1S/C25H31N5O5/c1-5-34-20(32)11-16-10-17(12-30(16)24(33)35-25(2,3)4)29-13-19(15-6-8-18(31)9-7-15)21-22(26)27-14-28-23(21)29/h6-9,13-14,16-17,31H,5,10-12H2,1-4H3,(H2,26,27,28)/t16-,17+/m1/s1
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
n/an/a 700n/an/an/an/an/an/a



Novartis Pharma Research

Curated by ChEMBL


Assay Description
Concentration required for inhibition of c-Src mediated phosphorylation of Fak in IC8.1 fibroblast cell assay


Bioorg Med Chem Lett 11: 853-6 (2001)


BindingDB Entry DOI: 10.7270/Q29P30XJ
More data for this
Ligand-Target Pair