Found 42 hits Enz. Inhib. hit(s) with all data for entry = 50028220 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248403
((S)-3-(2-(2,2-difluoro-1-(4-isopropylfuran-2-yl)pr...)Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(F)F |r| Show InChI InChI=1S/C23H25F2N3O5/c1-11(2)12-9-15(33-10-12)21(23(3,24)25)27-17-16(19(30)20(17)31)26-14-8-6-7-13(18(14)29)22(32)28(4)5/h6-11,21,26-27,29H,1-5H3/t21-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248279
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(furan-2-yl)...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccco3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C19H16F3N3O5/c1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11/h3-8,17,23-24,26H,1-2H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50200880
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248336
(3-(2-((1S,2S)-2-fluoro-1-(4-methylfuran-2-yl)propy...)Show SMILES C[C@H](F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)co1 |r| Show InChI InChI=1S/C21H22FN3O5/c1-10-8-14(30-9-10)15(11(2)22)24-17-16(19(27)20(17)28)23-13-7-5-6-12(18(13)26)21(29)25(3)4/h5-9,11,15,23-24,26H,1-4H3/t11-,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248456
((S)-3-(3,4-dioxo-2-(2,2,3,3,3-pentafluoro-1-(5-met...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(F)(F)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H18F5N3O5/c1-9-7-8-12(34-9)18(20(22,23)21(24,25)26)28-14-13(16(31)17(14)32)27-11-6-4-5-10(15(11)30)19(33)29(2)3/h4-8,18,27-28,30H,1-3H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50236053
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C22H23N3O4/c1-4-15(13-9-6-5-7-10-13)23-17-18(21(28)20(17)27)24-16-12-8-11-14(19(16)26)22(29)25(2)3/h5-12,15,23-24,26H,4H2,1-3H3/t15-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248501
((S)-3-(2-(1-(4,5-dichlorofuran-2-yl)-2,2,2-trifluo...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(Cl)c(Cl)o3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C19H14Cl2F3N3O5/c1-27(2)18(31)7-4-3-5-9(13(7)28)25-11-12(15(30)14(11)29)26-16(19(22,23)24)10-6-8(20)17(21)32-10/h3-6,16,25-26,28H,1-2H3/t16-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248502
((S)-3-(2-(1-(4-chlorofuran-2-yl)-2,2,2-trifluoroet...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(Cl)co3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C19H15ClF3N3O5/c1-26(2)18(30)9-4-3-5-10(14(9)27)24-12-13(16(29)15(12)28)25-17(19(21,22)23)11-6-8(20)7-31-11/h3-7,17,24-25,27H,1-2H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248453
((S)-3-(2-(2,2-difluoro-1-(5-methylfuran-2-yl)butyl...)Show SMILES CCC(F)(F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C22H23F2N3O5/c1-5-22(23,24)20(14-10-9-11(2)32-14)26-16-15(18(29)19(16)30)25-13-8-6-7-12(17(13)28)21(31)27(3)4/h6-10,20,25-26,28H,5H2,1-4H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248336
(3-(2-((1S,2S)-2-fluoro-1-(4-methylfuran-2-yl)propy...)Show SMILES C[C@H](F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)co1 |r| Show InChI InChI=1S/C21H22FN3O5/c1-10-8-14(30-9-10)15(11(2)22)24-17-16(19(27)20(17)28)23-13-7-5-6-12(18(13)26)21(29)25(3)4/h5-9,11,15,23-24,26H,1-4H3/t11-,15+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248280
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(5-methylfur...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C20H18F3N3O5/c1-9-7-8-12(31-9)18(20(21,22)23)25-14-13(16(28)17(14)29)24-11-6-4-5-10(15(11)27)19(30)26(2)3/h4-8,18,24-25,27H,1-3H3/t18-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248281
((R)-3-(3,4-dioxo-2-(3,3,3-trifluoro-1-(furan-2-yl)...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@H](CC(F)(F)F)c3ccco3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C20H18F3N3O5/c1-26(2)19(30)10-5-3-6-11(16(10)27)24-14-15(18(29)17(14)28)25-12(9-20(21,22)23)13-7-4-8-31-13/h3-8,12,24-25,27H,9H2,1-2H3/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248545
((S)-3-(2-(1-(benzo[d][1,3]dioxol-5-yl)-2,2,2-trifl...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc4OCOc4c3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C22H18F3N3O6/c1-28(2)21(32)11-4-3-5-12(17(11)29)26-15-16(19(31)18(15)30)27-20(22(23,24)25)10-6-7-13-14(8-10)34-9-33-13/h3-8,20,26-27,29H,9H2,1-2H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248279
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(furan-2-yl)...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccco3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C19H16F3N3O5/c1-25(2)18(29)9-5-3-6-10(14(9)26)23-12-13(16(28)15(12)27)24-17(19(20,21)22)11-7-4-8-30-11/h3-8,17,23-24,26H,1-2H3/t17-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248401
((S)-3-(2-(2,2-difluoro-1-(4-methylfuran-2-yl)propy...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(C)co3)C(C)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H21F2N3O5/c1-10-8-13(31-9-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248400
((S)-3-(2-(2,2-difluoro-1-(5-methylfuran-2-yl)propy...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H21F2N3O5/c1-10-8-9-13(31-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248337
(3-(2-((1S,2S)-2-fluoro-1-(furan-2-yl)propylamino)-...)Show SMILES C[C@H](F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 |r| Show InChI InChI=1S/C20H20FN3O5/c1-10(21)14(13-8-5-9-29-13)23-16-15(18(26)19(16)27)22-12-7-4-6-11(17(12)25)20(28)24(2)3/h4-10,14,22-23,25H,1-3H3/t10-,14+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248500
((S)-3-(2-(1-(5-chlorofuran-2-yl)-2,2,2-trifluoroet...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(Cl)o3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C19H15ClF3N3O5/c1-26(2)18(30)8-4-3-5-9(14(8)27)24-12-13(16(29)15(12)28)25-17(19(21,22)23)10-6-7-11(20)31-10/h3-7,17,24-25,27H,1-2H3/t17-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248545
((S)-3-(2-(1-(benzo[d][1,3]dioxol-5-yl)-2,2,2-trifl...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc4OCOc4c3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C22H18F3N3O6/c1-28(2)21(32)11-4-3-5-12(17(11)29)26-15-16(19(31)18(15)30)27-20(22(23,24)25)10-6-7-13-14(8-10)34-9-33-13/h3-8,20,26-27,29H,9H2,1-2H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248455
((S)-3-(2-(2-fluoro-2-methyl-1-(5-methylfuran-2-yl)...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(C)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C22H24FN3O5/c1-11-9-10-14(31-11)20(22(2,3)23)25-16-15(18(28)19(16)29)24-13-8-6-7-12(17(13)27)21(30)26(4)5/h6-10,20,24-25,27H,1-5H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248280
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-(5-methylfur...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C20H18F3N3O5/c1-9-7-8-12(31-9)18(20(21,22)23)25-14-13(16(28)17(14)29)24-11-6-4-5-10(15(11)27)19(30)26(2)3/h4-8,18,24-25,27H,1-3H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248454
((S)-3-(2-(2,2-difluoro-1-(5-methylfuran-2-yl)but-3...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(F)(F)C=C)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C22H21F2N3O5/c1-5-22(23,24)20(14-10-9-11(2)32-14)26-16-15(18(29)19(16)30)25-13-8-6-7-12(17(13)28)21(31)27(3)4/h5-10,20,25-26,28H,1H2,2-4H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248400
((S)-3-(2-(2,2-difluoro-1-(5-methylfuran-2-yl)propy...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H21F2N3O5/c1-10-8-9-13(31-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248456
((S)-3-(3,4-dioxo-2-(2,2,3,3,3-pentafluoro-1-(5-met...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(F)(F)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H18F5N3O5/c1-9-7-8-12(34-9)18(20(22,23)21(24,25)26)28-14-13(16(31)17(14)32)27-11-6-4-5-10(15(11)30)19(33)29(2)3/h4-8,18,27-28,30H,1-3H3/t18-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248402
((S)-3-(2-(2,2-difluoro-1-(3-methylfuran-2-yl)propy...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3occc3C)C(C)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H21F2N3O5/c1-10-8-9-31-18(10)19(21(2,22)23)25-14-13(16(28)17(14)29)24-12-7-5-6-11(15(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248335
(3-(2-((1S,2S)-2-fluoro-1-(5-methylfuran-2-yl)propy...)Show SMILES C[C@H](F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C21H22FN3O5/c1-10-8-9-14(30-10)15(11(2)22)24-17-16(19(27)20(17)28)23-13-7-5-6-12(18(13)26)21(29)25(3)4/h5-9,11,15,23-24,26H,1-4H3/t11-,15+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 13 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248401
((S)-3-(2-(2,2-difluoro-1-(4-methylfuran-2-yl)propy...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(C)co3)C(C)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H21F2N3O5/c1-10-8-13(31-9-10)19(21(2,22)23)25-15-14(17(28)18(15)29)24-12-7-5-6-11(16(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248544
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-phenylethyla...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccccc3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H18F3N3O4/c1-27(2)20(31)12-9-6-10-13(16(12)28)25-14-15(18(30)17(14)29)26-19(21(22,23)24)11-7-4-3-5-8-11/h3-10,19,25-26,28H,1-2H3/t19-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 14 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248335
(3-(2-((1S,2S)-2-fluoro-1-(5-methylfuran-2-yl)propy...)Show SMILES C[C@H](F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C21H22FN3O5/c1-10-8-9-14(30-10)15(11(2)22)24-17-16(19(27)20(17)28)23-13-7-5-6-12(18(13)26)21(29)25(3)4/h5-9,11,15,23-24,26H,1-4H3/t11-,15+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248502
((S)-3-(2-(1-(4-chlorofuran-2-yl)-2,2,2-trifluoroet...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(Cl)co3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C19H15ClF3N3O5/c1-26(2)18(30)9-4-3-5-10(14(9)27)24-12-13(16(29)15(12)28)25-17(19(21,22)23)11-6-8(20)7-31-11/h3-7,17,24-25,27H,1-2H3/t17-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50200880
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C21H23N3O5/c1-5-13(15-10-9-11(2)29-15)22-16-17(20(27)19(16)26)23-14-8-6-7-12(18(14)25)21(28)24(3)4/h6-10,13,22-23,25H,5H2,1-4H3/t13-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248453
((S)-3-(2-(2,2-difluoro-1-(5-methylfuran-2-yl)butyl...)Show SMILES CCC(F)(F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1 |r| Show InChI InChI=1S/C22H23F2N3O5/c1-5-22(23,24)20(14-10-9-11(2)32-14)26-16-15(18(29)19(16)30)25-13-8-6-7-12(17(13)28)21(31)27(3)4/h6-10,20,25-26,28H,5H2,1-4H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248455
((S)-3-(2-(2-fluoro-2-methyl-1-(5-methylfuran-2-yl)...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(C)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C22H24FN3O5/c1-11-9-10-14(31-11)20(22(2,3)23)25-16-15(18(28)19(16)29)24-13-8-6-7-12(17(13)27)21(30)26(4)5/h6-10,20,24-25,27H,1-5H3/t20-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 24 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248403
((S)-3-(2-(2,2-difluoro-1-(4-isopropylfuran-2-yl)pr...)Show SMILES CC(C)c1coc(c1)[C@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)C(C)(F)F |r| Show InChI InChI=1S/C23H25F2N3O5/c1-11(2)12-9-15(33-10-12)21(23(3,24)25)27-17-16(19(30)20(17)31)26-14-8-6-7-13(18(14)29)22(32)28(4)5/h6-11,21,26-27,29H,1-5H3/t21-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248402
((S)-3-(2-(2,2-difluoro-1-(3-methylfuran-2-yl)propy...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3occc3C)C(C)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H21F2N3O5/c1-10-8-9-31-18(10)19(21(2,22)23)25-14-13(16(28)17(14)29)24-12-7-5-6-11(15(12)27)20(30)26(3)4/h5-9,19,24-25,27H,1-4H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248500
((S)-3-(2-(1-(5-chlorofuran-2-yl)-2,2,2-trifluoroet...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(Cl)o3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C19H15ClF3N3O5/c1-26(2)18(30)8-4-3-5-9(14(8)27)24-12-13(16(29)15(12)28)25-17(19(21,22)23)10-6-7-11(20)31-10/h3-7,17,24-25,27H,1-2H3/t17-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 34 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50236053
((R)-3-(3,4-dioxo-2-(1-phenylpropylamino)cyclobut-1...)Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccc1 |r| Show InChI InChI=1S/C22H23N3O4/c1-4-15(13-9-6-5-7-10-13)23-17-18(21(28)20(17)27)24-16-12-8-11-14(19(16)26)22(29)25(2)3/h5-12,15,23-24,26H,4H2,1-3H3/t15-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248544
((S)-3-(3,4-dioxo-2-(2,2,2-trifluoro-1-phenylethyla...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccccc3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H18F3N3O4/c1-27(2)20(31)12-9-6-10-13(16(12)28)25-14-15(18(30)17(14)29)26-19(21(22,23)24)11-7-4-3-5-8-11/h3-10,19,25-26,28H,1-2H3/t19-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248337
(3-(2-((1S,2S)-2-fluoro-1-(furan-2-yl)propylamino)-...)Show SMILES C[C@H](F)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1 |r| Show InChI InChI=1S/C20H20FN3O5/c1-10(21)14(13-8-5-9-29-13)23-16-15(18(26)19(16)27)22-12-7-4-6-11(17(12)25)20(28)24(2)3/h4-10,14,22-23,25H,1-3H3/t10-,14+/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
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PubMed
| 43 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248281
((R)-3-(3,4-dioxo-2-(3,3,3-trifluoro-1-(furan-2-yl)...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@H](CC(F)(F)F)c3ccco3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C20H18F3N3O5/c1-26(2)19(30)10-5-3-6-11(16(10)27)24-14-15(18(29)17(14)28)25-12(9-20(21,22)23)13-7-4-8-31-13/h3-8,12,24-25,27H,9H2,1-2H3/t12-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50248501
((S)-3-(2-(1-(4,5-dichlorofuran-2-yl)-2,2,2-trifluo...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3cc(Cl)c(Cl)o3)C(F)(F)F)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C19H14Cl2F3N3O5/c1-27(2)18(31)7-4-3-5-9(13(7)28)25-11-12(15(30)14(11)29)26-16(19(22,23)24)10-6-8(20)17(21)32-10/h3-6,16,25-26,28H,1-2H3/t16-/m0/s1 | PDB
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR1 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50248334
((R)-3-(3,4-dioxo-2-(4,4,4-trifluoro-1-(furan-2-yl)...)Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@H](CCC(F)(F)F)c3ccco3)c(=O)c2=O)c1O |r| Show InChI InChI=1S/C21H20F3N3O5/c1-27(2)20(31)11-5-3-6-13(17(11)28)26-16-15(18(29)19(16)30)25-12(8-9-21(22,23)24)14-7-4-10-32-14/h3-7,10,12,25-26,28H,8-9H2,1-2H3/t12-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to CXCR2 (unknown origin) |
Bioorg Med Chem Lett 19: 1431-3 (2009)
Article DOI: 10.1016/j.bmcl.2009.01.033
BindingDB Entry DOI: 10.7270/Q2CV4HMF |
More data for this
Ligand-Target Pair | |
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