BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 3860 hits with Last Name = 'qiu' and Initial = 'h'   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kJ/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449263
PNG
(CHEMBL3125333)
Show SMILES OC(=O)CCCCc1nc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C1=NOC2(C1)Cc1ccccc1C2
Show InChI InChI=1S/C30H26FN3O4/c31-22-10-12-23(13-11-22)34-27(7-3-4-8-28(35)36)32-25-15-19(9-14-24(25)29(34)37)26-18-30(38-33-26)16-20-5-1-2-6-21(20)17-30/h1-2,5-6,9-15H,3-4,7-8,16-18H2,(H,35,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449259
PNG
(CHEMBL3125329)
Show SMILES CCCCC1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1
Show InChI InChI=1S/C32H32FN3O4/c1-2-3-19-32(23-9-5-4-6-10-23)21-28(35-40-32)22-13-18-26-27(20-22)34-29(11-7-8-12-30(37)38)36(31(26)39)25-16-14-24(33)15-17-25/h4-6,9-10,13-18,20H,2-3,7-8,11-12,19,21H2,1H3,(H,37,38)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449258
PNG
(CHEMBL3125328)
Show SMILES CCCC1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1
Show InChI InChI=1S/C31H30FN3O4/c1-2-18-31(22-8-4-3-5-9-22)20-27(34-39-31)21-12-17-25-26(19-21)33-28(10-6-7-11-29(36)37)35(30(25)38)24-15-13-23(32)14-16-24/h3-5,8-9,12-17,19H,2,6-7,10-11,18,20H2,1H3,(H,36,37)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449257
PNG
(CHEMBL3125327)
Show SMILES CCC1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1
Show InChI InChI=1S/C30H28FN3O4/c1-2-30(21-8-4-3-5-9-21)19-26(33-38-30)20-12-17-24-25(18-20)32-27(10-6-7-11-28(35)36)34(29(24)37)23-15-13-22(31)14-16-23/h3-5,8-9,12-18H,2,6-7,10-11,19H2,1H3,(H,35,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.80n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449261
PNG
(CHEMBL3125331)
Show SMILES COCC1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1
Show InChI InChI=1S/C30H28FN3O5/c1-38-19-30(21-7-3-2-4-8-21)18-26(33-39-30)20-11-16-24-25(17-20)32-27(9-5-6-10-28(35)36)34(29(24)37)23-14-12-22(31)13-15-23/h2-4,7-8,11-17H,5-6,9-10,18-19H2,1H3,(H,35,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449277
PNG
(CHEMBL3125160)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H25FN4O5/c1-30(29-33-22-6-2-3-7-25(22)39-29)17-24(34-40-30)18-10-15-21-23(16-18)32-26(8-4-5-9-27(36)37)35(28(21)38)20-13-11-19(31)12-14-20/h2-3,6-7,10-16H,4-5,8-9,17H2,1H3,(H,36,37)/t30-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
1.90n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449272
PNG
(CHEMBL3125342)
Show SMILES C[C@@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H25ClFN3O4/c1-29(19-7-9-20(30)10-8-19)17-25(33-38-29)18-6-15-23-24(16-18)32-26(4-2-3-5-27(35)36)34(28(23)37)22-13-11-21(31)12-14-22/h6-16H,2-5,17H2,1H3,(H,35,36)/t29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449278
PNG
(CHEMBL3125161)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H25FN4O4S/c1-30(29-33-22-6-2-3-7-25(22)40-29)17-24(34-39-30)18-10-15-21-23(16-18)32-26(8-4-5-9-27(36)37)35(28(21)38)20-13-11-19(31)12-14-20/h2-3,6-7,10-16H,4-5,8-9,17H2,1H3,(H,36,37)/t30-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227000
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C(C)(C)C)c1O
Show InChI InChI=1S/C20H25N5O4S/c1-20(2,3)16(14-10-7-11-29-14)22-18-17(23-30(28)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.30n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449260
PNG
(CHEMBL3125330)
Show SMILES OCC1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1
Show InChI InChI=1S/C29H26FN3O5/c30-21-11-13-22(14-12-21)33-26(8-4-5-9-27(35)36)31-24-16-19(10-15-23(24)28(33)37)25-17-29(18-34,38-32-25)20-6-2-1-3-7-20/h1-3,6-7,10-16,34H,4-5,8-9,17-18H2,(H,35,36)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449276
PNG
(CHEMBL3125159)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)[C@H](O)c1ccccc1
Show InChI InChI=1S/C30H28FN3O5/c1-30(28(37)19-7-3-2-4-8-19)18-25(33-39-30)20-11-16-23-24(17-20)32-26(9-5-6-10-27(35)36)34(29(23)38)22-14-12-21(31)13-15-22/h2-4,7-8,11-17,28,37H,5-6,9-10,18H2,1H3,(H,35,36)/t28-,30+/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449255
PNG
(CHEMBL3125322)
Show SMILES OC(=O)CCCCc1nc2cc(ccc2c(=O)n1-c1ccc(F)cc1)-c1cc(on1)-c1ccccc1
Show InChI InChI=1S/C28H22FN3O4/c29-20-11-13-21(14-12-20)32-26(8-4-5-9-27(33)34)30-24-16-19(10-15-22(24)28(32)35)23-17-25(36-31-23)18-6-2-1-3-7-18/h1-3,6-7,10-17H,4-5,8-9H2,(H,33,34)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem
Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Partial agonist activity at human CRTH2 receptor expressed in HEK cells assessed as forskolin-induced cAMP formation preincubated for 10 mins followe...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449267
PNG
(CHEMBL3125337)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccc(Cl)cc1
Show InChI InChI=1S/C29H25ClFN3O4/c1-29(19-7-9-20(30)10-8-19)17-25(33-38-29)18-6-15-23-24(16-18)32-26(4-2-3-5-27(35)36)34(28(23)37)22-13-11-21(31)12-14-22/h6-16H,2-5,17H2,1H3,(H,35,36)/t29-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227005
PNG
(3-{4-[(R)-1-(4,5-dimethyl-furan-2-yl)-2-methyl-pro...)
Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)c(C)o1
Show InChI InChI=1S/C21H27N5O4S/c1-11(2)17(16-10-12(3)13(4)30-16)23-20-19(24-31(29)25-20)22-15-9-7-8-14(18(15)27)21(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
2.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449268
PNG
(CHEMBL3125338)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1cccc(c1)C#N
Show InChI InChI=1S/C30H25FN4O4/c1-30(21-6-4-5-19(15-21)18-32)17-26(34-39-30)20-9-14-24-25(16-20)33-27(7-2-3-8-28(36)37)35(29(24)38)23-12-10-22(31)11-13-23/h4-6,9-16H,2-3,7-8,17H2,1H3,(H,36,37)/t30-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226999
PNG
(2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(5-methyl-furan...)
Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccc(C)o1
Show InChI InChI=1S/C19H23N5O4S/c1-5-13(15-10-9-11(2)28-15)20-17-18(23-29(27)22-17)21-14-8-6-7-12(16(14)25)19(26)24(3)4/h6-10,13,25H,5H2,1-4H3,(H,20,22)(H,21,23)/t13-,29?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
3n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449266
PNG
(CHEMBL3125336)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C29H24F3N3O4/c1-29(18-13-20(31)15-21(32)14-18)16-25(34-39-29)17-6-11-23-24(12-17)33-26(4-2-3-5-27(36)37)35(28(23)38)22-9-7-19(30)8-10-22/h6-15H,2-5,16H2,1H3,(H,36,37)/t29-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449264
PNG
(CHEMBL3125334)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1
Show InChI InChI=1S/C29H26FN3O4/c1-29(20-7-3-2-4-8-20)18-25(32-37-29)19-11-16-23-24(17-19)31-26(9-5-6-10-27(34)35)33(28(23)36)22-14-12-21(30)13-15-22/h2-4,7-8,11-17H,5-6,9-10,18H2,1H3,(H,34,35)/t29-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449275
PNG
(CHEMBL3125158)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C30H28FN3O5/c1-30(28(37)19-7-3-2-4-8-19)18-25(33-39-30)20-11-16-23-24(17-20)32-26(9-5-6-10-27(35)36)34(29(23)38)22-14-12-21(31)13-15-22/h2-4,7-8,11-17,28,37H,5-6,9-10,18H2,1H3,(H,35,36)/t28-,30-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226995
PNG
(3-[4-((R)-2,2-dimethyl-1-phenyl-propylamino)-1-oxo...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccccc2)C(C)(C)C)c1O
Show InChI InChI=1S/C22H27N5O3S/c1-22(2,3)18(14-10-7-6-8-11-14)24-20-19(25-31(30)26-20)23-16-13-9-12-15(17(16)28)21(29)27(4)5/h6-13,18,28H,1-5H3,(H,23,25)(H,24,26)/t18-,31?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449265
PNG
(CHEMBL3125335)
Show SMILES C[C@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H25F2N3O4/c1-29(19-7-9-20(30)10-8-19)17-25(33-38-29)18-6-15-23-24(16-18)32-26(4-2-3-5-27(35)36)34(28(23)37)22-13-11-21(31)12-14-22/h6-16H,2-5,17H2,1H3,(H,35,36)/t29-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.10n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227003
PNG
(3-[4-((R)-1-benzo[1,3]dioxol-5-yl-2,2-dimethyl-pro...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O
Show InChI InChI=1S/C23H27N5O6S/c1-23(2,3)19(13-9-10-16-17(11-13)34-12-33-16)25-21-20(26-35(31,32)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

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449256
PNG
(CHEMBL3125326)
Show SMILES CC1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1
Show InChI InChI=1S/C29H26FN3O4/c1-29(20-7-3-2-4-8-20)18-25(32-37-29)19-11-16-23-24(17-19)31-26(9-5-6-10-27(34)35)33(28(23)36)22-14-12-21(30)13-15-22/h2-4,7-8,11-17H,5-6,9-10,18H2,1H3,(H,34,35)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
4.70n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226996
PNG
(2-hydroxy-N,N-dimethyl-3-[1-oxo-4-((R)-1-phenyl-pr...)
Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1ccccc1
Show InChI InChI=1S/C20H23N5O3S/c1-4-15(13-9-6-5-7-10-13)21-18-19(24-29(28)23-18)22-16-12-8-11-14(17(16)26)20(27)25(2)3/h5-12,15,26H,4H2,1-3H3,(H,21,23)(H,22,24)/t15-,29?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227001
PNG
(3-{4-[(R)-2,2-dimethyl-1-(5-methyl-furan-2-yl)-pro...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O
Show InChI InChI=1S/C21H27N5O4S/c1-12-10-11-15(30-12)17(21(2,3)4)23-19-18(24-31(29)25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
5n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449283
PNG
(CHEMBL3125321)
Show SMILES C[C@@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1nc2ccccc2s1
Show InChI InChI=1S/C30H25FN4O4S/c1-30(29-33-22-6-2-3-7-25(22)40-29)17-24(34-39-30)18-10-15-21-23(16-18)32-26(8-4-5-9-27(36)37)35(28(21)38)20-13-11-19(31)12-14-20/h2-3,6-7,10-16H,4-5,8-9,17H2,1H3,(H,36,37)/t30-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.60n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449270
PNG
(CHEMBL3125340)
Show SMILES C[C@@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccc(F)cc1
Show InChI InChI=1S/C29H25F2N3O4/c1-29(19-7-9-20(30)10-8-19)17-25(33-38-29)18-6-15-23-24(16-18)32-26(4-2-3-5-27(35)36)34(28(23)37)22-13-11-21(31)12-14-22/h6-16H,2-5,17H2,1H3,(H,35,36)/t29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
6n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449279
PNG
(CHEMBL3125162)
Show SMILES C[C@]1(Cc2ccccc2)CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O
Show InChI InChI=1S/C30H28FN3O4/c1-30(18-20-7-3-2-4-8-20)19-26(33-38-30)21-11-16-24-25(17-21)32-27(9-5-6-10-28(35)36)34(29(24)37)23-14-12-22(31)13-15-23/h2-4,7-8,11-17H,5-6,9-10,18-19H2,1H3,(H,35,36)/t30-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.40n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449274
PNG
(CHEMBL3125157)
Show SMILES C[C@@]1(Cc2ccccc2)CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O
Show InChI InChI=1S/C30H28FN3O4/c1-30(18-20-7-3-2-4-8-20)19-26(33-38-30)21-11-16-24-25(17-21)32-27(9-5-6-10-28(35)36)34(29(24)37)23-14-12-22(31)13-15-23/h2-4,7-8,11-17H,5-6,9-10,18-19H2,1H3,(H,35,36)/t30-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.5n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227010
PNG
(3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino...)
Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1
Show InChI InChI=1S/C21H24FN5O3S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-31(30)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-,31?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
8n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227013
PNG
(2-hydroxy-N,N-dimethyl-3-{4-[(R)-1-(4-methyl-3,4-d...)
Show SMILES CC[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccc2N(C)CCOc2c1
Show InChI InChI=1S/C23H28N6O5S/c1-5-16(14-9-10-18-19(13-14)34-12-11-29(18)4)24-21-22(27-35(32,33)26-21)25-17-8-6-7-15(20(17)30)23(31)28(2)3/h6-10,13,16,30H,5,11-12H2,1-4H3,(H,24,26)(H,25,27)/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227011
PNG
(3-{4-[(R)-1-(5-chloro-furan-2-yl)-2,2-dimethyl-pro...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc(Cl)o2)C(C)(C)C)c1O
Show InChI InChI=1S/C20H24ClN5O5S/c1-20(2,3)16(13-9-10-14(21)31-13)23-18-17(24-32(29,30)25-18)22-12-8-6-7-11(15(12)27)19(28)26(4)5/h6-10,16,27H,1-5H3,(H,22,24)(H,23,25)/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226993
PNG
(2-hydroxy-3-{4-[(R)-1-(4-isopropyl-furan-2-yl)-pro...)
Show SMILES CC[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(co1)C(C)C
Show InChI InChI=1S/C21H27N5O4S/c1-6-15(17-10-13(11-30-17)12(2)3)22-19-20(25-31(29)24-19)23-16-9-7-8-14(18(16)27)21(28)26(4)5/h7-12,15,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t15-,31?/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
9n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449271
PNG
(CHEMBL3125341)
Show SMILES C[C@@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1cc(F)cc(F)c1
Show InChI InChI=1S/C29H24F3N3O4/c1-29(18-13-20(31)15-21(32)14-18)16-25(34-39-29)17-6-11-23-24(12-17)33-26(4-2-3-5-27(36)37)35(28(23)38)22-9-7-19(30)8-10-22/h6-15H,2-5,16H2,1H3,(H,36,37)/t29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

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



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227006
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccco2)C(C)(C)C)c1O
Show InChI InChI=1S/C20H25N5O5S/c1-20(2,3)16(14-10-7-11-30-14)22-18-17(23-31(28,29)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50226997
PNG
(3-{4-[(R)-1-(3-fluoro-phenyl)-2-methyl-propylamino...)
Show SMILES CC(C)[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1cccc(F)c1
Show InChI InChI=1S/C21H24FN5O4S/c1-12(2)17(13-7-5-8-14(22)11-13)24-20-19(25-32(30,31)26-20)23-16-10-6-9-15(18(16)28)21(29)27(3)4/h5-12,17,28H,1-4H3,(H,23,25)(H,24,26)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

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



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227009
PNG
(3-(4-{[(R)-furan-2-yl-(1-methyl-cyclopropyl)-methy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C2(C)CC2)c1O
Show InChI InChI=1S/C20H23N5O4S/c1-20(9-10-20)16(14-8-5-11-29-14)22-18-17(23-30(28)24-18)21-13-7-4-6-12(15(13)26)19(27)25(2)3/h4-8,11,16,26H,9-10H2,1-3H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449262
PNG
(CHEMBL3125332)
Show SMILES OC(=O)CCCCc1nc2cc(ccc2c(=O)n1-c1ccc(F)cc1)C1=NOC(C1)(c1ccccc1)c1ccccc1
Show InChI InChI=1S/C34H28FN3O4/c35-26-16-18-27(19-17-26)38-31(13-7-8-14-32(39)40)36-29-21-23(15-20-28(29)33(38)41)30-22-34(42-37-30,24-9-3-1-4-10-24)25-11-5-2-6-12-25/h1-6,9-12,15-21H,7-8,13-14,22H2,(H,39,40)
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
14n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227004
PNG
(3-{4-[(benzo[1,3]dioxol-5-ylmethyl)-amino]-1-oxo-1...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2NCc2ccc3OCOc3c2)c1O
Show InChI InChI=1S/C19H19N5O5S/c1-24(2)19(26)12-4-3-5-13(16(12)25)21-18-17(22-30(27)23-18)20-9-11-6-7-14-15(8-11)29-10-28-14/h3-8,25H,9-10H2,1-2H3,(H,20,22)(H,21,23)
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
15n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227002
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-butylamino)-1,...)
Show SMILES CCC(C)(C)[C@@H](NC1=NS(=O)(=O)NC1=Nc1cccc(C(=O)N(C)C)c1O)c1ccco1
Show InChI InChI=1S/C21H27N5O5S/c1-6-21(2,3)17(15-11-8-12-31-15)23-19-18(24-32(29,30)25-19)22-14-10-7-9-13(16(14)27)20(28)26(4)5/h7-12,17,27H,6H2,1-5H3,(H,22,24)(H,23,25)/t17-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
16n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449281
PNG
(CHEMBL3125319)
Show SMILES C[C@@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)[C@H](O)c1ccccc1
Show InChI InChI=1S/C30H28FN3O5/c1-30(28(37)19-7-3-2-4-8-19)18-25(33-39-30)20-11-16-23-24(17-20)32-26(9-5-6-10-27(35)36)34(29(23)38)22-14-12-21(31)13-15-22/h2-4,7-8,11-17,28,37H,5-6,9-10,18H2,1H3,(H,35,36)/t28-,30-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
18n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449282
PNG
(CHEMBL3125320)
Show SMILES C[C@@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1nc2ccccc2o1
Show InChI InChI=1S/C30H25FN4O5/c1-30(29-33-22-6-2-3-7-25(22)39-29)17-24(34-40-30)18-10-15-21-23(16-18)32-26(8-4-5-9-27(36)37)35(28(21)38)20-13-11-19(31)12-14-20/h2-3,6-7,10-16H,4-5,8-9,17H2,1H3,(H,36,37)/t30-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
20n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227000
PNG
(3-[4-((R)-1-furan-2-yl-2,2-dimethyl-propylamino)-1...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccco2)C(C)(C)C)c1O
Show InChI InChI=1S/C20H25N5O4S/c1-20(2,3)16(14-10-7-11-29-14)22-18-17(23-30(28)24-18)21-13-9-6-8-12(15(13)26)19(27)25(4)5/h6-11,16,26H,1-5H3,(H,21,23)(H,22,24)/t16-,30?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
21n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449273
PNG
(CHEMBL3125343)
Show SMILES C[C@@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1cccc(c1)C#N
Show InChI InChI=1S/C30H25FN4O4/c1-30(21-6-4-5-19(15-21)18-32)17-26(34-39-30)20-9-14-24-25(16-20)33-27(7-2-3-8-28(36)37)35(29(24)38)23-12-10-22(31)11-13-23/h4-6,9-16H,2-3,7-8,17H2,1H3,(H,36,37)/t30-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
22n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Interleukin-8 receptors, CXCR2


(Homo sapiens (Human))
BDBM50227008
PNG
(3-{4-[(R)-1-(2,3-dihydro-benzo[1,4]dioxin-6-yl)-2,...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCCOc3c2)C(C)(C)C)c1O
Show InChI InChI=1S/C24H29N5O6S/c1-24(2,3)20(14-9-10-17-18(13-14)35-12-11-34-17)26-22-21(27-36(32,33)28-22)25-16-8-6-7-15(19(16)30)23(31)29(4)5/h6-10,13,20,30H,11-12H2,1-5H3,(H,25,27)(H,26,28)/t20-/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
24n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR2


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449269
PNG
(CHEMBL3125339)
Show SMILES C[C@@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)c1ccccc1
Show InChI InChI=1S/C29H26FN3O4/c1-29(20-7-3-2-4-8-20)18-25(32-37-29)19-11-16-23-24(17-19)31-26(9-5-6-10-27(34)35)33(28(23)36)22-14-12-21(30)13-15-22/h2-4,7-8,11-17H,5-6,9-10,18H2,1H3,(H,34,35)/t29-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227001
PNG
(3-{4-[(R)-2,2-dimethyl-1-(5-methyl-furan-2-yl)-pro...)
Show SMILES CN(C)C(=O)c1cccc(Nc2ns(=O)nc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O
Show InChI InChI=1S/C21H27N5O4S/c1-12-10-11-15(30-12)17(21(2,3)4)23-19-18(24-31(29)25-19)22-14-9-7-8-13(16(14)27)20(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m0/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
38n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
G protein-coupled receptor 44


(Homo sapiens (Human))
BDBM50449280
PNG
(CHEMBL3125163)
Show SMILES C[C@@]1(CC(=NO1)c1ccc2c(c1)nc(CCCCC(O)=O)n(-c1ccc(F)cc1)c2=O)[C@@H](O)c1ccccc1
Show InChI InChI=1S/C30H28FN3O5/c1-30(28(37)19-7-3-2-4-8-19)18-25(33-39-30)20-11-16-23-24(17-20)32-26(9-5-6-10-27(35)36)34(29(23)38)22-14-12-21(31)13-15-22/h2-4,7-8,11-17,28,37H,5-6,9-10,18H2,1H3,(H,35,36)/t28-,30+/m0/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
42n/an/an/an/an/an/an/an/a



Merck Research Laboratories

Curated by ChEMBL


Assay Description
Antagonist activity at human CRTH2 receptor expressed in CHO-1 cells assessed as inhibition of PGD2-induced Ca2+ flux preincubated for 30 mins follow...


Bioorg Med Chem Lett 24: 1615-20 (2014)


Article DOI: 10.1016/j.bmcl.2014.01.043
BindingDB Entry DOI: 10.7270/Q2JQ12G9
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227003
PNG
(3-[4-((R)-1-benzo[1,3]dioxol-5-yl-2,2-dimethyl-pro...)
Show SMILES CN(C)C(=O)c1cccc(N=C2NS(=O)(=O)N=C2N[C@@H](c2ccc3OCOc3c2)C(C)(C)C)c1O
Show InChI InChI=1S/C23H27N5O6S/c1-23(2,3)19(13-9-10-16-17(11-13)34-12-33-16)25-21-20(26-35(31,32)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
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
46n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50227005
PNG
(3-{4-[(R)-1-(4,5-dimethyl-furan-2-yl)-2-methyl-pro...)
Show SMILES CC(C)[C@@H](Nc1ns(=O)nc1Nc1cccc(C(=O)N(C)C)c1O)c1cc(C)c(C)o1
Show InChI InChI=1S/C21H27N5O4S/c1-11(2)17(16-10-12(3)13(4)30-16)23-20-19(24-31(29)25-20)22-15-9-7-8-14(18(15)27)21(28)26(5)6/h7-11,17,27H,1-6H3,(H,22,24)(H,23,25)/t17-,31?/m1/s1
PDB

UniProtKB/SwissProt

B.MOAD
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Patents


Similars

Article
PubMed
50n/an/an/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Bioorg Med Chem Lett 18: 228-31 (2008)


Article DOI: 10.1016/j.bmcl.2007.10.094
BindingDB Entry DOI: 10.7270/Q25B027K
More data for this
Ligand-Target Pair
Displayed 1 to 50 (of 3860 total )  |  Next  |  Last  >>
Jump to: