BindingDB logo
myBDB logout

BDBM50099745 4-(Carboxymethyl-carbamoyl)-4-{[1-(2-{2-[(9,10-dioxo-9,10-dihydro-phenanthrene-2-carbonyl)-amino]-5-guanidino-pentanoylamino}-acetyl)-pyrrolidine-2-carbonyl]-amino}-butyric acid::CHEMBL430756

SMILES: NC(=N)NCCCC(NC(=O)c1ccc2-c3ccccc3C(=O)C(=O)c2c1)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCC(O)=O)C(=O)NCC(O)=O

InChI Key: InChIKey=VKMIIJREOGRMPZ-UHFFFAOYNA-N

Data: 1 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 1 hit for monomerid = 50099745   
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
Leukocyte common antigen


(Homo sapiens (Human))
BDBM50099745
PNG
(4-(Carboxymethyl-carbamoyl)-4-{[1-(2-{2-[(9,10-dio...)
Show SMILES NC(=N)NCCCC(NC(=O)c1ccc2-c3ccccc3C(=O)C(=O)c2c1)C(=O)NCC(=O)N1CCCC1C(=O)NC(CCC(O)=O)C(=O)NCC(O)=O
Show InChI InChI=1/C35H40N8O11/c36-35(37)38-13-3-7-23(41-31(51)18-9-10-20-19-5-1-2-6-21(19)29(49)30(50)22(20)15-18)32(52)39-16-26(44)43-14-4-8-25(43)34(54)42-24(11-12-27(45)46)33(53)40-17-28(47)48/h1-2,5-6,9-10,15,23-25H,3-4,7-8,11-14,16-17H2,(H,39,52)(H,40,53)(H,41,51)(H,42,54)(H,45,46)(H,47,48)(H4,36,37,38)
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 900n/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by ChEMBL


Assay Description
In vitro inhibitory activity against the cytosolic portion of CD45 protein-tyrosine phosphatase using pNPP as the substrate


J Med Chem 44: 1777-93 (2001)


Article DOI: 10.1021/jm000447i
BindingDB Entry DOI: 10.7270/Q2X34WQQ
More data for this
Ligand-Target Pair