BDBM236804 US9388149, 4::US9580412, Example 4

SMILES CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1F

InChI Key InChIKey=AFOYTVCGGOVKKI-YGWXTMFKSA-N

Data  4 IC50

Find this compound or compounds like it in BindingDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 236804   

TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
Galderma Research & Development

US Patent
LigandPNGBDBM236804(US9388149, 4 | US9580412, Example 4)
Show SMILES CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1F
Show InChI InChI=1S/C29H32FN3O6S/c1-15(2)38-29(37)19-9-5-13-33(19)28(36)17-7-4-8-18(22(17)30)31-24-25(27(35)26(24)34)32-23(21-10-6-14-40-21)20-12-11-16(3)39-20/h4,7-8,11-12,15,19,21,23,31-32H,5-6,9-10,13-14H2,1-3H3/t19-,21?,23?/m0/s1
Affinity DataIC50: 1.89E+3nMT: 2°CAssay Description:⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetC-X-C chemokine receptor type 2(Homo sapiens (Human))
Galderma Research & Development

US Patent
LigandPNGBDBM236804(US9388149, 4 | US9580412, Example 4)
Show SMILES CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1F
Show InChI InChI=1S/C29H32FN3O6S/c1-15(2)38-29(37)19-9-5-13-33(19)28(36)17-7-4-8-18(22(17)30)31-24-25(27(35)26(24)34)32-23(21-10-6-14-40-21)20-12-11-16(3)39-20/h4,7-8,11-12,15,19,21,23,31-32H,5-6,9-10,13-14H2,1-3H3/t19-,21?,23?/m0/s1
Affinity DataIC50: 109nMAssay 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 β-a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetC-X-C chemokine receptor type 1(Homo sapiens (Human))
Galderma Research & Development

US Patent
LigandPNGBDBM236804(US9388149, 4 | US9580412, Example 4)
Show SMILES CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1F
Show InChI InChI=1S/C29H32FN3O6S/c1-15(2)38-29(37)19-9-5-13-33(19)28(36)17-7-4-8-18(22(17)30)31-24-25(27(35)26(24)34)32-23(21-10-6-14-40-21)20-12-11-16(3)39-20/h4,7-8,11-12,15,19,21,23,31-32H,5-6,9-10,13-14H2,1-3H3/t19-,21?,23?/m0/s1
Affinity DataIC50: 1.89E+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 β-a...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
TargetC-X-C chemokine receptor type 2(Homo sapiens (Human))
Galderma Research & Development

US Patent
LigandPNGBDBM236804(US9388149, 4 | US9580412, Example 4)
Show SMILES CC(C)OC(=O)[C@@H]1CCCN1C(=O)c1cccc(Nc2c(NC(C3CCCS3)c3ccc(C)o3)c(=O)c2=O)c1F
Show InChI InChI=1S/C29H32FN3O6S/c1-15(2)38-29(37)19-9-5-13-33(19)28(36)17-7-4-8-18(22(17)30)31-24-25(27(35)26(24)34)32-23(21-10-6-14-40-21)20-12-11-16(3)39-20/h4,7-8,11-12,15,19,21,23,31-32H,5-6,9-10,13-14H2,1-3H3/t19-,21?,23?/m0/s1
Affinity DataIC50: 109nMT: 2°CAssay Description:⿿PathHunter HEK293-CXCR2⿝ or ⿿U2OS hCXCR1 β-arrestin⿝ cells (DiscoveRx Corporation) were seeded overnight at 10 000 cells/well (384-well...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid