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2 similar compounds to monomer 50142600

Compile data set for download or QSAR
Wt: 558.6
BDBM50240735

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50240735   
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
Nucleoside diphosphate kinase B


(Homo sapiens (Human))
BDBM50240735
PNG
(CHEMBL4070857)
Show SMILES Fc1cc2c(cc1NCCN1CCCC1)nc1\C(CCn1c2=O)=C\c1ccc(cc1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C32H39FN6O2/c33-27-21-26-28(22-29(27)34-12-19-38-15-3-4-16-38)36-30-25(10-18-39(30)32(26)41)20-23-6-8-24(9-7-23)31(40)35-11-5-17-37-13-1-2-14-37/h6-9,20-22,34H,1-5,10-19H2,(H,35,40)/b25-20+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 1.80E+4n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Binding affinity to N-terminal NT-647-NHS labeled NM23-H2 (unknown origin) after 30 mins by MST analysis


J Med Chem 60: 6924-6941 (2017)

More data for this
Ligand-Target Pair
Nucleoside diphosphate kinase B


(Homo sapiens (Human))
BDBM50240735
PNG
(CHEMBL4070857)
Show SMILES Fc1cc2c(cc1NCCN1CCCC1)nc1\C(CCn1c2=O)=C\c1ccc(cc1)C(=O)NCCCN1CCCC1
Show InChI InChI=1S/C32H39FN6O2/c33-27-21-26-28(22-29(27)34-12-19-38-15-3-4-16-38)36-30-25(10-18-39(30)32(26)41)20-23-6-8-24(9-7-23)31(40)35-11-5-17-37-13-1-2-14-37/h6-9,20-22,34H,1-5,10-19H2,(H,35,40)/b25-20+
PDB

UniProtKB/SwissProt

GoogleScholar
PC cid
PC sid
UniChem

Similars

PubMed
n/an/an/a 1.98E+4n/an/an/an/an/a



Sun Yat-sen University

Curated by ChEMBL


Assay Description
Inhibitory activity against porcine renin


J Med Chem 60: 6924-6941 (2017)

More data for this
Ligand-Target Pair