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SMILES: CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3(C)CCOCC3)c(=O)c2=O)c1O

InChI Key: InChIKey=ZMIYRIGYJBURQV-UHFFFAOYSA-N

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 = 177694   
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
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM177694
PNG
(US9120772, 6)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3(C)CCOCC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H29N3O6/c1-14-8-9-17(34-14)23(25(2)10-12-33-13-11-25)27-19-18(21(30)22(19)31)26-16-7-5-6-15(20(16)29)24(32)28(3)4/h5-9,23,26-27,29H,10-13H2,1-4H3
PDB

Reactome pathway
KEGG

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 157n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the beta -ar...


US Patent US9120772 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1QHF
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 1


(Homo sapiens (Human))
BDBM177694
PNG
(US9120772, 6)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc(C)o3)C3(C)CCOCC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H29N3O6/c1-14-8-9-17(34-14)23(25(2)10-12-33-13-11-25)27-19-18(21(30)22(19)31)26-16-7-5-6-15(20(16)29)24(32)28(3)4/h5-9,23,26-27,29H,10-13H2,1-4H3
PDB

UniProtKB/SwissProt

B.MOAD
antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Similars

US Patent
n/an/a 3.35E+3n/an/an/an/an/an/a



GALDERMA RESEARCH & DEVELOPMENT

US Patent


Assay Description
The in vitro affinity of the compounds of the present invention for the CXCR1 and CXCR2 receptors was determined on a functional test of the beta -ar...


US Patent US9120772 (2015)


BindingDB Entry DOI: 10.7270/Q2PG1QHF
More data for this
Ligand-Target Pair