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BDBM50247947 (R)-3-(4-(1-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethylpropylamino)-1,2,5-thiadiazol-3-ylamino)-2-hydroxy-N,N-dimethylbenzamide::CHEMBL522959

SMILES: CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O

InChI Key: InChIKey=FIBJPCXODZVPBQ-IBGZPJMESA-N

Data: 2 KI

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 = 50247947   
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
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50247947
PNG
((R)-3-(4-(1-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C23H27N5O4S/c1-23(2,3)19(13-9-10-16-17(11-13)32-12-31-16)25-21-20(26-33-27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
52n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR1 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50247947
PNG
((R)-3-(4-(1-(benzo[d][1,3]dioxol-5-yl)-2,2-dimethy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O |r|
Show InChI InChI=1S/C23H27N5O4S/c1-23(2,3)19(13-9-10-16-17(11-13)32-12-31-16)25-21-20(26-33-27-21)24-15-8-6-7-14(18(15)29)22(30)28(4)5/h6-11,19,29H,12H2,1-5H3,(H,24,26)(H,25,27)/t19-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Patents

Article
PubMed
330n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of IL8 from CXCR2 receptor (unknown origin)


Bioorg Med Chem Lett 19: 1434-7 (2009)


Article DOI: 10.1016/j.bmcl.2009.01.027
BindingDB Entry DOI: 10.7270/Q2833RW1
More data for this
Ligand-Target Pair