BindingDB logo
myBDB logout

BDBM55904 MLS000562875::SMR000391142::YW-LW::cid_16745387

SMILES: Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1

InChI Key: InChIKey=PXHHCCUNWUGLGE-KGYLSDFJSA-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 = 55904   
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
neutrophil cytosolic factor 1


(Homo sapiens (Human))		BDBM55904
PNG
(MLS000562875 | SMR000391142 | YW-LW | cid_16745387)
Show SMILES Cl.CC(C)C[C@H](N)c1cn(nn1)[C@@H](Cc1cc2ccccc2[nH]1)C(=O)N1CCN(CC1)c1nc(NCCOCCOCCOCC#C)nc(n1)N1CCN(CC1)C(=O)[C@H](Cc1cc2ccccc2[nH]1)n1cc(nn1)[C@@H](N)Cc1ccc(O)cc1
Show InChI InChI=1S/C59H74N18O6.ClH/c1-4-26-81-28-30-83-31-29-82-27-17-62-57-65-58(74-22-18-72(19-23-74)55(79)53(36-44-34-42-9-5-7-11-49(42)63-44)76-38-51(68-70-76)47(60)32-40(2)3)67-59(66-57)75-24-20-73(21-25-75)56(80)54(37-45-35-43-10-6-8-12-50(43)64-45)77-39-52(69-71-77)48(61)33-41-13-15-46(78)16-14-41;/h1,5-16,34-35,38-40,47-48,53-54,63-64,78H,17-33,36-37,60-61H2,2-3H3,(H,62,65,66,67);1H/t47-,48-,53-,54-;/m0./s1
PDB
MMDB

Reactome pathway
KEGG

B.MOAD
DrugBank
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars
PCBioAssay
n/an/a 5.41E+3n/an/an/an/an/an/a



Emory University Molecular Libraries Screening Center

Curated by PubChem BioAssay


Assay Description
NIH Molecular Libraries Screening Centers Network [MLSCN] Emory Chemical Biology Discovery Center in MLSCN Assay provider: Susan Smith, Emory Univers...

PubChem Bioassay (2008)


BindingDB Entry DOI: 10.7270/Q2M90723
More data for this
Ligand-Target Pair