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BDBM14697 4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphenyl)methyl]azepan-3-yl]carbamoyl}ethyl]benzene-1,2-diphosphonic acid::CHEMBL319516::Inhibitor 9::N-alpha-acetyl-N-[(3S)-1-(biphenyl-4-ylmethyl)-2-oxoazepan-3-yl]-3,4-diphosphono-L-phenylalaninamide::RU83876

SMILES: CC(=O)N[C@@H](Cc1ccc(c(c1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O

InChI Key: InChIKey=WCMLXBUNHNAMNH-QYRYXDJWNA-N

Data: 2 IC50

PDB links: 1 PDB ID matches this monomer.

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 = 14697   
Target
(Institution)
LigandTarget
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
VEGF-receptor 2 and tyrosine-protein kinase SRC


(Homo sapiens (Human))
BDBM14697
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(c(c1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1/C30H35N3O9P2/c1-20(34)31-26(17-22-12-15-27(43(37,38)39)28(18-22)44(40,41)42)29(35)32-25-9-5-6-16-33(30(25)36)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,18,25-26H,5-6,9,16-17,19H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)(H2,40,41,42)/t25-,26-/s2
PDB
MMDB

KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



Aventis Pharma

Curated by ChEMBL


Assay Description
Inhibitory concentration against SH2 domain of human p60 Src tyrosine kinase


J Med Chem 45: 2915-22 (2002)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Src


(Homo sapiens (human))
BDBM14697
PNG
(4-[(2S)-2-acetamido-2-{[(3S)-2-oxo-1-[(4-phenylphe...)
Show SMILES CC(=O)N[C@@H](Cc1ccc(c(c1)P(O)(O)=O)P(O)(O)=O)C(=O)N[C@H]1CCCCN(Cc2ccc(cc2)-c2ccccc2)C1=O |r|
Show InChI InChI=1/C30H35N3O9P2/c1-20(34)31-26(17-22-12-15-27(43(37,38)39)28(18-22)44(40,41)42)29(35)32-25-9-5-6-16-33(30(25)36)19-21-10-13-24(14-11-21)23-7-3-2-4-8-23/h2-4,7-8,10-15,18,25-26H,5-6,9,16-17,19H2,1H3,(H,31,34)(H,32,35)(H2,37,38,39)(H2,40,41,42)/t25-,26-/s2
PDB
MMDB

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
AffyNet 
MMDB
PDB
Article
PubMed
n/an/a 2.00E+3n/an/an/an/a7.422



Aventis Pharma



Assay Description
SPA uses 125I as energy donor and scintillant-coated beads as energy acceptor. The labeled ligand is captured by the biotinylated Src-SH2 protein imm...


J Med Chem 46: 5184-95 (2003)

More data for this
Ligand-Target Pair
3D
3D Structure (crystal)