BDBM172350 US9090596, 30

SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc4OCOc4c3)C3(C)COC3)c(=O)c2=O)c1O

InChI Key InChIKey=AERTYNHXIVQLQD-UHFFFAOYSA-N

Data  2 IC50

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   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 172350   

TargetC-X-C chemokine receptor type 2(Homo sapiens (Human))
Galderma Research & Development

US Patent
LigandPNGBDBM172350(US9090596, 30)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc4OCOc4c3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H25N3O7/c1-25(10-33-11-25)23(13-7-8-16-17(9-13)35-12-34-16)27-19-18(21(30)22(19)31)26-15-6-4-5-14(20(15)29)24(32)28(2)3/h4-9,23,26-27,29H,10-12H2,1-3H3
Affinity DataIC50: 349nMAssay 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.-a...More data for this Ligand-Target Pair
TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
Galderma Research & Development

US Patent
LigandPNGBDBM172350(US9090596, 30)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(NC(c3ccc4OCOc4c3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1S/C25H25N3O7/c1-25(10-33-11-25)23(13-7-8-16-17(9-13)35-12-34-16)27-19-18(21(30)22(19)31)26-15-6-4-5-14(20(15)29)24(32)28(2)3/h4-9,23,26-27,29H,10-12H2,1-3H3
Affinity DataIC50: 2.25E+3nMAssay 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.-a...More data for this Ligand-Target Pair