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BDBM50052017 3-{7-[3-(2-Cyclopropylmethyl-3-methoxy-4-methylcarbamoyl-phenoxy)-propoxy]-8-propyl-chroman-2-yl}-propionic acid::CHEMBL328492::SC-51146

SMILES: CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2CCC(CCC(O)=O)Oc12

InChI Key: InChIKey=YWYUQSGYKDEAMJ-UHFFFAOYSA-N

Data: 2 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 50052017   
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
LTB4R


(HUMAN)
BDBM50052017
PNG
(3-{7-[3-(2-Cyclopropylmethyl-3-methoxy-4-methylcar...)
Show SMILES CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2CCC(CCC(O)=O)Oc12
Show InChI InChI=1S/C31H41NO7/c1-4-6-23-26(14-10-21-9-11-22(39-29(21)23)12-16-28(33)34)37-17-5-18-38-27-15-13-24(31(35)32-2)30(36-3)25(27)19-20-7-8-20/h10,13-15,20,22H,4-9,11-12,16-19H2,1-3H3,(H,32,35)(H,33,34)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
n/an/a 1.5n/an/an/an/an/an/a



Abbott Laboratories

Curated by ChEMBL


Assay Description
Compound was tested for inhibitory activity against human neutrophil LTB4 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
LTB4R


(HUMAN)
BDBM50052017
PNG
(3-{7-[3-(2-Cyclopropylmethyl-3-methoxy-4-methylcar...)
Show SMILES CCCc1c(OCCCOc2ccc(C(=O)NC)c(OC)c2CC2CC2)ccc2CCC(CCC(O)=O)Oc12
Show InChI InChI=1S/C31H41NO7/c1-4-6-23-26(14-10-21-9-11-22(39-29(21)23)12-16-28(33)34)37-17-5-18-38-27-15-13-24(31(35)32-2)30(36-3)25(27)19-20-7-8-20/h10,13-15,20,22H,4-9,11-12,16-19H2,1-3H3,(H,32,35)(H,33,34)
UniProtKB/SwissProt

GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
n/an/a 11n/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Inhibitory activity against leukotriene B4 receptor


Bioorg Med Chem Lett 4: 811-816 (1994)


Article DOI: 10.1016/S0960-894X(01)80853-2
BindingDB Entry DOI: 10.7270/Q2DN451X
More data for this
Ligand-Target Pair