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BDBM50052021 4-[5-(4-Carbamimidoyl-phenoxy)-pentyloxy]-N,N-diisopropyl-3-methoxy-benzamide::CGS-250190::CHEMBL89326

SMILES: COc1cc(ccc1OCCCCCOc1ccc(cc1)C(N)=N)C(=O)N(C(C)C)C(C)C

InChI Key: InChIKey=VAYJLOGCWOXMAS-UHFFFAOYSA-N

Data: 1 KI  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 2 hits for monomerid = 50052021   
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
Leukotriene B4 receptor


(HUMAN)
BDBM50052021
PNG
(4-[5-(4-Carbamimidoyl-phenoxy)-pentyloxy]-N,N-diis...)
Show SMILES COc1cc(ccc1OCCCCCOc1ccc(cc1)C(N)=N)C(=O)N(C(C)C)C(C)C
Show InChI InChI=1S/C26H37N3O4/c1-18(2)29(19(3)4)26(30)21-11-14-23(24(17-21)31-5)33-16-8-6-7-15-32-22-12-9-20(10-13-22)25(27)28/h9-14,17-19H,6-8,15-16H2,1-5H3,(H3,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

1n/an/an/an/an/an/an/an/a


TBA

Assay Description
Inhibition of leukotriene B4 (LTB4) binding to its receptor on intact human neutrophils


Citation and Details
More data for this
Ligand-Target Pair
LTB4R


(HUMAN)
BDBM50052021
PNG
(4-[5-(4-Carbamimidoyl-phenoxy)-pentyloxy]-N,N-diis...)
Show SMILES COc1cc(ccc1OCCCCCOc1ccc(cc1)C(N)=N)C(=O)N(C(C)C)C(C)C
Show InChI InChI=1S/C26H37N3O4/c1-18(2)29(19(3)4)26(30)21-11-14-23(24(17-21)31-5)33-16-8-6-7-15-32-22-12-9-20(10-13-22)25(27)28/h9-14,17-19H,6-8,15-16H2,1-5H3,(H3,27,28)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 4n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against Leukotriene B4 receptor binding


J Med Chem 39: 2629-54 (1996)


Article DOI: 10.1021/jm960088k
BindingDB Entry DOI: 10.7270/Q21J9BFT
More data for this
Ligand-Target Pair