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Compile Data Set for Download or QSAR

Found 316 hits Enz. Inhib. hit(s) with Target = 'Chemokine receptor type 1 (CXCR1)'   
Target
(Institution)
LigandTarget
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
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50169045
PNG
((R)-2-(4-isobutylphenyl)-N-(methylsulfonyl)propana...)
Show SMILES CC(C)Cc1ccc(cc1)[C@@H](C)C(=O)NS(C)(=O)=O
Show InChI InChI=1S/C14H21NO3S/c1-10(2)9-12-5-7-13(8-6-12)11(3)14(16)15-19(4,17)18/h5-8,10-11H,9H2,1-4H3,(H,15,16)/t11-/m1/s1
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n/an/a 1n/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115286
PNG
(CHEMBL3609016)
Show SMILES OB(O)c1ccc(CN(Cc2ccco2)c2ccc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C23H20BFN4O4/c25-18-5-8-19(9-6-18)28-23(30)16-3-10-22(27-12-16)29(15-21-2-1-11-33-21)14-20-7-4-17(13-26-20)24(31)32/h1-13,31-32H,14-15H2,(H,28,30)
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n/an/a 3.30n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)

More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200880
PNG
((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
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
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n/an/a 3.90n/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Binding affinity to CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50115227
PNG
(CHEMBL3609018)
Show SMILES OB(O)c1ccc(CN(Cc2ccccc2)c2ncc(cn2)C(=O)Nc2ccc(F)cc2)nc1
Show InChI InChI=1S/C24H21BFN5O3/c26-20-7-10-21(11-8-20)30-23(32)18-12-28-24(29-13-18)31(15-17-4-2-1-3-5-17)16-22-9-6-19(14-27-22)25(33)34/h1-14,33-34H,15-16H2,(H,30,32)
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n/an/a 7n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)

More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50211458
PNG
((R)-2-hydroxy-3-(2-(1-(4-isopropylfuran-2-yl)propy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)C(C)C
Show InChI InChI=1S/C23H27N3O5/c1-6-15(17-10-13(11-31-17)12(2)3)24-18-19(22(29)21(18)28)25-16-9-7-8-14(20(16)27)23(30)26(4)5/h7-12,15,24-25,27H,6H2,1-5H3/t15-/m1/s1
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n/an/a 7.30n/an/an/an/an/an/a



Schering Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from human CXCR1 expressed in CHO cells by SPA


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200882
PNG
((R)-3-(2-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@@H](c3ccc(C)o3)C(C)(C)C)c(=O)c2=O)c1O
Show InChI InChI=1S/C23H27N3O5/c1-12-10-11-15(31-12)21(23(2,3)4)25-17-16(19(28)20(17)29)24-14-9-7-8-13(18(14)27)22(30)26(5)6/h7-11,21,24-25,27H,1-6H3/t21-/m0/s1
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n/an/a 11n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM13066
PNG
(2-{2-[(2,6-dichlorophenyl)amino]phenyl}acetic acid...)
Show SMILES OC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl
Show InChI InChI=1S/C14H11Cl2NO2/c15-10-5-3-6-11(16)14(10)17-12-7-2-1-4-9(12)8-13(18)19/h1-7,17H,8H2,(H,18,19)
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n/an/a 12n/an/an/an/an/an/a



Grupo Uriach

Curated by ChEMBL


Assay Description
Inhibition of wild type CXCR1 transfected in mouse L1.2 cells assessed as inhibition of CXCL8-induced cell migration pretreated for 15 mins measured ...


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50203012
PNG
(1-(2-bromophenyl)-3-(2-hydroxy-4-nitrophenyl)urea ...)
Show SMILES Oc1cc(ccc1NC(=O)Nc1ccccc1Br)[N+]([O-])=O
Show InChI InChI=1S/C13H10BrN3O4/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17(20)21)7-12(11)18/h1-7,18H,(H2,15,16,19)
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n/an/a 22n/an/an/an/an/an/a



National Heart and Lung Institute

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 assessed as inhibition of CXCL8 binding by cell based assay


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50150572
PNG
(1-(2-Bromo-phenyl)-3-(2,4-dihydroxy-phenyl)-urea |...)
Show SMILES Oc1ccc(NC(=O)Nc2ccccc2Br)c(O)c1
Show InChI InChI=1S/C13H11BrN2O3/c14-9-3-1-2-4-10(9)15-13(19)16-11-6-5-8(17)7-12(11)18/h1-7,17-18H,(H2,15,16,19)
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n/an/a 22n/an/an/an/an/an/a



Johnson and Johnson Pharmaceutical Research and Development

Curated by ChEMBL


Assay Description
Inhibitory concentration against interleukin-8 receptor of human neutrophils by using [125I]-IL-8 (0.125 nM) as radioligand


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193973
PNG
((R)-1-(3-(3-(3-(2-bromophenyl)-2-cyanoguanidino)-6...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCC[C@@H]1C(O)=O
Show InChI InChI=1S/C24H28BrClN6O5S/c1-3-24(4-2,32-13-7-10-19(32)22(34)35)31-38(36,37)21-16(26)11-12-18(20(21)33)30-23(28-14-27)29-17-9-6-5-8-15(17)25/h5-6,8-9,11-12,19,31,33H,3-4,7,10,13H2,1-2H3,(H,34,35)(H2,28,29,30)/t19-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200878
PNG
((R)-3-(2-(1-(furan-2-yl)propylamino)-3,4-dioxocycl...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1
Show InChI InChI=1S/C20H21N3O5/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3/t12-/m1/s1
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n/an/a 26n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM150812
PNG
(US8981106, 2 (SX-576))
Show SMILES OB(O)c1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H15BF4N2O4S/c22-14-2-4-15(5-3-14)27-19(28)12-1-8-18(26-10-12)32-11-13-9-16(31-20(23,24)25)6-7-17(13)21(29)30/h1-10,29-30H,11H2,(H,27,28)
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n/an/a 31n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR1 (unknown origin) transfected in RBL cells assessed as inhibition of IL-8-mediated intracellular calcium release preincub...


Bioorg Med Chem Lett 25: 3793-7 (2015)

More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM150812
PNG
(US8981106, 2 (SX-576))
Show SMILES OB(O)c1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H15BF4N2O4S/c22-14-2-4-15(5-3-14)27-19(28)12-1-8-18(26-10-12)32-11-13-9-16(31-20(23,24)25)6-7-17(13)21(29)30/h1-10,29-30H,11H2,(H,27,28)
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n/an/a 31n/an/an/an/an/an/a



Syntrix Biosystems

Curated by ChEMBL


Assay Description
Inhibition of CXCR1 (unknown origin) transfected with RBL cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200888
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(2-methyl-1-(5-met...)
Show SMILES CC(C)[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
Show InChI InChI=1S/C22H25N3O5/c1-11(2)16(15-10-9-12(3)30-15)24-18-17(20(27)21(18)28)23-14-8-6-7-13(19(14)26)22(29)25(4)5/h6-11,16,23-24,26H,1-5H3/t16-/m1/s1
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n/an/a 34n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200880
PNG
((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
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
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n/an/a 36n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193979
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C16H15BrClN5O3S/c1-23(2)27(25,26)15-11(18)7-8-13(14(15)24)22-16(20-9-19)21-12-6-4-3-5-10(12)17/h3-8,24H,1-2H3,(H2,20,21,22)
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n/an/a 55n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233576
PNG
((R)-3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-di...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200881
PNG
((R)-3-(2-(cyclopropyl(5-methylfuran-2-yl)methylami...)
Show SMILES CN(C)C(=O)c1cccc(Nc2c(N[C@H](C3CC3)c3ccc(C)o3)c(=O)c2=O)c1O
Show InChI InChI=1S/C22H23N3O5/c1-11-7-10-15(30-11)16(12-8-9-12)24-18-17(20(27)21(18)28)23-14-6-4-5-13(19(14)26)22(29)25(2)3/h4-7,10,12,16,23-24,26H,8-9H2,1-3H3/t16-/m1/s1
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n/an/a 55n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233574
PNG
((R)-3-(2-(1-(4-chlorofuran-2-yl)propylamino)-3,4-d...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3/t12-/m1/s1
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n/an/a 62n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233563
PNG
(3-(2-(1-(furan-2-yl)propylamino)-3,4-dioxocyclobut...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccco1
Show InChI InChI=1S/C20H21N3O5/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3
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n/an/a 67n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200887
PNG
((R)-3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)c...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1
Show InChI InChI=1S/C20H21N3O4S/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3/t12-/m1/s1
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n/an/a 81n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233577
PNG
(3-(2-(1-(4-bromofuran-2-yl)propylamino)-3,4-dioxoc...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Br)co1
Show InChI InChI=1S/C20H20BrN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 93n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233553
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylfuran-2-yl...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)o1
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
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n/an/a 99n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233589
PNG
(3-(2-(1-(4-chlorofuran-2-yl)propylamino)-3,4-dioxo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(Cl)co1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-12(14-8-10(21)9-29-14)22-15-16(19(27)18(15)26)23-13-7-5-6-11(17(13)25)20(28)24(2)3/h5-9,12,22-23,25H,4H2,1-3H3
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n/an/a 100n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193971
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(O)c(ccc1C(F)(F)F)N=C(NC#N)Nc1ccccc1Br
Show InChI InChI=1S/C17H15BrF3N5O3S/c1-26(2)30(28,29)15-10(17(19,20)21)7-8-13(14(15)27)25-16(23-9-22)24-12-6-4-3-5-11(12)18/h3-8,27H,1-2H3,(H2,23,24,25)
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n/an/a 100n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50127138
PNG
(2-(butan-2-yl)-4-{4-[4-(4-{[(2R,4S)-2-(2,4-dichlor...)
Show SMILES CCC(C)n1ncn(-c2ccc(cc2)N2CCN(CC2)c2ccc(OC[C@H]3CO[C@@](Cn4cncn4)(O3)c3ccc(Cl)cc3Cl)cc2)c1=O
Show InChI InChI=1S/C35H38Cl2N8O4/c1-3-25(2)45-34(46)44(24-40-45)29-7-5-27(6-8-29)41-14-16-42(17-15-41)28-9-11-30(12-10-28)47-19-31-20-48-35(49-31,21-43-23-38-22-39-43)32-13-4-26(36)18-33(32)37/h4-13,18,22-25,31H,3,14-17,19-21H2,1-2H3/t25?,31-,35-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



University of North Carolina Chapel Hill School of Medicine

Curated by ChEMBL


Assay Description
Inhibition of CX3CL1-stimulated CX3CR1 in human HTLA cells pre-incubated for 20 mins measured on day 4 by beta arrestin-recruitment mediated lucifera...


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233561
PNG
((R)-3-(3,4-dioxo-2-(1-(thiophen-3-yl)propylamino)c...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1
Show InChI InChI=1S/C20H21N3O4S/c1-4-13(11-8-9-28-10-11)21-15-16(19(26)18(15)25)22-14-7-5-6-12(17(14)24)20(27)23(2)3/h5-10,13,21-22,24H,4H2,1-3H3/t13-/m1/s1
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n/an/a 104n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193972
PNG
(3-(2-bromophenyl)-2-cyano-1-(2-hydroxy-4-methyl-3-...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(C)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCOCC1
Show InChI InChI=1S/C24H31BrN6O4S/c1-4-24(5-2,31-12-14-35-15-13-31)30-36(33,34)22-17(3)10-11-20(21(22)32)29-23(27-16-26)28-19-9-7-6-8-18(19)25/h6-11,30,32H,4-5,12-15H2,1-3H3,(H2,27,28,29)
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n/an/a 104n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM172372
PNG
(US9090596, 53)
Show SMILES CN1CCN(CC1)S(=O)(=O)c1c(Cl)ccc(Nc2c(N[C@@H](c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1/C25H29ClN4O7S/c1-14-4-7-17(37-14)24(25(2)12-36-13-25)28-19-18(21(32)22(19)33)27-16-6-5-15(26)23(20(16)31)38(34,35)30-10-8-29(3)9-11-30/h4-7,24,27-28,31H,8-13H2,1-3H3/t24-/s2
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n/an/a 115n/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.-a...


US Patent US9090596 (2015)

More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM172342
PNG
(US9090596, 22)
Show SMILES CN(C)S(=O)(=O)c1c(Cl)ccc(Nc2c(NC(c3ccc(C)o3)C3(C)COC3)c(=O)c2=O)c1O
Show InChI InChI=1/C22H24ClN3O7S/c1-11-5-8-14(33-11)21(22(2)9-32-10-22)25-16-15(18(28)19(16)29)24-13-7-6-12(23)20(17(13)27)34(30,31)26(3)4/h5-8,21,24-25,27H,9-10H2,1-4H3
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n/an/a 117n/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.-a...


US Patent US9090596 (2015)

More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50248038
PNG
((R)-3-(4-(2,2-dimethyl-1-(5-methylfuran-2-yl)propy...)
Show SMILES CN(C)C(=O)c1cccc(Nc2nsnc2N[C@@H](c2ccc(C)o2)C(C)(C)C)c1O
Show InChI InChI=1S/C21H27N5O3S/c1-12-10-11-15(29-12)17(21(2,3)4)23-19-18(24-30-25-19)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-/m0/s1
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n/an/a 143n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]CXCL8 from CXCR1 receptor in human PMN assessed as myeloperoxidase release


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200875
PNG
((R)-3-(2-(1-(benzo[d][1,3]dioxol-5-yl)propylamino)...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc2OCOc2c1
Show InChI InChI=1S/C23H23N3O6/c1-4-14(12-8-9-16-17(10-12)32-11-31-16)24-18-19(22(29)21(18)28)25-15-7-5-6-13(20(15)27)23(30)26(2)3/h5-10,14,24-25,27H,4,11H2,1-3H3/t14-/m1/s1
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n/an/a 145n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233554
PNG
((R)-3-(3,4-dioxo-2-(1-(pyridin-2-yl)propylamino)cy...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccccn1
Show InChI InChI=1S/C21H22N4O4/c1-4-13(14-9-5-6-11-22-14)23-16-17(20(28)19(16)27)24-15-10-7-8-12(18(15)26)21(29)25(2)3/h5-11,13,23-24,26H,4H2,1-3H3/t13-/m1/s1
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n/an/a 148n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233570
PNG
(3-(3,4-dioxo-2-(1-(4-phenylfuran-2-yl)propylamino)...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1ccccc1
Show InChI InChI=1S/C26H25N3O5/c1-4-18(20-13-16(14-34-20)15-9-6-5-7-10-15)27-21-22(25(32)24(21)31)28-19-12-8-11-17(23(19)30)26(33)29(2)3/h5-14,18,27-28,30H,4H2,1-3H3
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n/an/a 150n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233584
PNG
(3-(3,4-dioxo-2-(1-(thiophen-3-yl)propylamino)cyclo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccsc1
Show InChI InChI=1S/C20H21N3O4S/c1-4-13(11-8-9-28-10-11)21-15-16(19(26)18(15)25)22-14-7-5-6-12(17(14)24)20(27)23(2)3/h5-10,13,21-22,24H,4H2,1-3H3
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n/an/a 165n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233558
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylisoxaz...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1
Show InChI InChI=1S/C20H22N4O5/c1-5-12(14-9-10(2)29-23-14)21-15-16(19(27)18(15)26)22-13-8-6-7-11(17(13)25)20(28)24(3)4/h6-9,12,21-22,25H,5H2,1-4H3/t12-/m1/s1
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n/an/a 171n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233580
PNG
(3-(3,4-dioxo-2-(1-(thiophen-2-yl)propylamino)cyclo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccs1
Show InChI InChI=1S/C20H21N3O4S/c1-4-12(14-9-6-10-28-14)21-15-16(19(26)18(15)25)22-13-8-5-7-11(17(13)24)20(27)23(2)3/h5-10,12,21-22,24H,4H2,1-3H3
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n/an/a 179n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233586
PNG
(2-hydroxy-3-(2-(1-(5-(hydroxymethyl)furan-2-yl)pro...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(CO)o1
Show InChI InChI=1S/C21H23N3O6/c1-4-13(15-9-8-11(10-25)30-15)22-16-17(20(28)19(16)27)23-14-7-5-6-12(18(14)26)21(29)24(2)3/h5-9,13,22-23,25-26H,4,10H2,1-3H3
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n/an/a 182n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193980
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(C)ccc(N=C(NC#N)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C17H18BrN5O3S/c1-11-8-9-14(15(24)16(11)27(25,26)23(2)3)22-17(20-10-19)21-13-7-5-4-6-12(13)18/h4-9,24H,1-3H3,(H2,20,21,22)
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n/an/a 187n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193969
PNG
(1-(3-{[3-(4-aminopiperidin-1-yl)pentan-3-yl]sulfam...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1CCC(N)CC1
Show InChI InChI=1S/C24H31BrClN7O3S/c1-3-24(4-2,33-13-11-16(28)12-14-33)32-37(35,36)22-18(26)9-10-20(21(22)34)31-23(29-15-27)30-19-8-6-5-7-17(19)25/h5-10,16,32,34H,3-4,11-14,28H2,1-2H3,(H2,29,30,31)
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n/an/a 188n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193985
PNG
(3-{[[(2-bromophenyl)amino](cyanoimino)methyl]amino...)
Show SMILES CN(C)S(=O)(=O)c1c(F)ccc(N=C(NC#N)Nc2ccccc2Br)c1O
Show InChI InChI=1S/C16H15BrFN5O3S/c1-23(2)27(25,26)15-11(18)7-8-13(14(15)24)22-16(20-9-19)21-12-6-4-3-5-10(12)17/h3-8,24H,1-2H3,(H2,20,21,22)
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n/an/a 192n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200885
PNG
((R)-3-(2-(1-(3-fluorophenyl)propylamino)-3,4-dioxo...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cccc(F)c1
Show InChI InChI=1S/C22H22FN3O4/c1-4-15(12-7-5-8-13(23)11-12)24-17-18(21(29)20(17)28)25-16-10-6-9-14(19(16)27)22(30)26(2)3/h5-11,15,24-25,27H,4H2,1-3H3/t15-/m1/s1
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n/an/a 197n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50193978
PNG
(3-(2-bromophenyl)-1-[4-chloro-3-({3-[(2R,6S)-2,6-d...)
Show SMILES CCC(CC)(NS(=O)(=O)c1c(Cl)ccc(N=C(NC#N)Nc2ccccc2Br)c1O)N1C[C@H](C)O[C@H](C)C1
Show InChI InChI=1S/C25H32BrClN6O4S/c1-5-25(6-2,33-13-16(3)37-17(4)14-33)32-38(35,36)23-19(27)11-12-21(22(23)34)31-24(29-15-28)30-20-10-8-7-9-18(20)26/h7-12,16-17,32,34H,5-6,13-14H2,1-4H3,(H2,29,30,31)/t16-,17+
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n/an/a 215n/an/an/an/an/an/a



GlaxoSmithKline

Curated by ChEMBL


Assay Description
Displacement of [125I]IL8 from CXCR1 expressed in CHO cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233562
PNG
(3-(3,4-dioxo-2-(1-(4-(thiophen-3-yl)furan-2-yl)pro...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(co1)-c1ccsc1
Show InChI InChI=1S/C24H23N3O5S/c1-4-16(18-10-14(11-32-18)13-8-9-33-12-13)25-19-20(23(30)22(19)29)26-17-7-5-6-15(21(17)28)24(31)27(2)3/h5-12,16,25-26,28H,4H2,1-3H3
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n/an/a 221n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233567
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylisoxazol-3...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1cc(C)on1
Show InChI InChI=1S/C20H22N4O5/c1-5-12(14-9-10(2)29-23-14)21-15-16(19(27)18(15)26)22-13-8-6-7-11(17(13)25)20(28)24(3)4/h6-9,12,21-22,25H,5H2,1-4H3
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n/an/a 224n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50200877
PNG
((R)-2-hydroxy-N,N-dimethyl-3-(2-(1-(5-methylthioph...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(C)s1
Show InChI InChI=1S/C21H23N3O4S/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
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n/an/a 235n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233572
PNG
((R)-3-(2-(1-(5-chlorofuran-2-yl)propylamino)-3,4-d...)
Show SMILES CC[C@@H](Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3/t11-/m1/s1
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n/an/a 244n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50236053
PNG
((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
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
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n/an/a 254n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Displacement of [125I]hCXCL8 from human CXCR1 receptor expressed in BaF3 cells


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233581
PNG
(3-(2-(1-(5-chlorofuran-2-yl)propylamino)-3,4-dioxo...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1ccc(Cl)o1
Show InChI InChI=1S/C20H20ClN3O5/c1-4-11(13-8-9-14(21)29-13)22-15-16(19(27)18(15)26)23-12-7-5-6-10(17(12)25)20(28)24(2)3/h5-9,11,22-23,25H,4H2,1-3H3
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n/an/a 275n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
Chemokine receptor type 1 (CXCR1)


(Homo sapiens (Human))
BDBM50233556
PNG
(2-hydroxy-N,N-dimethyl-3-(2-(1-(3-methyl-1,2,4-oxa...)
Show SMILES CCC(Nc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)c1=O)c1nc(C)no1
Show InChI InChI=1S/C19H21N5O5/c1-5-11(18-20-9(2)23-29-18)21-13-14(17(27)16(13)26)22-12-8-6-7-10(15(12)25)19(28)24(3)4/h6-8,11,21-22,25H,5H2,1-4H3
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n/an/a 289n/an/an/an/an/an/a



Schering-Plough Research Institute

Curated by ChEMBL


Assay Description
Inhibition of CXCR1


Citation and Details
More data for this
Ligand-Target Pair
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