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Compile Data Set for Download or QSAR

Found 177 hits Enz. Inhib. hit(s) with all data for assayid = 1 entry = 6753   
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
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150948
PNG
(US8981106, 137)
Show SMILES COC(=O)c1cc(on1)C(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H14FN3O5S/c1-27-19(26)14-8-16(28-23-14)15(24)10-29-17-7-2-11(9-21-17)18(25)22-13-5-3-12(20)4-6-13/h2-9H,10H2,1H3,(H,22,25)
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n/an/a 14n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150905
PNG
(US8981106, 94)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)c3ccc(Cl)c(c3)N(=O)=O)nc2)cc1
Show InChI InChI=1S/C20H13ClFN3O4S/c21-16-7-1-12(9-17(16)25(28)29)18(26)11-30-19-8-2-13(10-23-19)20(27)24-15-5-3-14(22)4-6-15/h1-10H,11H2,(H,24,27)
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n/an/a 16n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150812
PNG
(US8981106, 2 (SX-576) | USRE47267, Compound 2)
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 22n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150824
PNG
(US8981106, 14 (SX-585) | USRE47267, Compound 14)
Show SMILES Oc1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H14F4N2O3S/c21-14-2-4-15(5-3-14)26-19(28)12-1-8-18(25-10-12)30-11-13-9-16(6-7-17(13)27)29-20(22,23)24/h1-10,27H,11H2,(H,26,28)
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n/an/a 28n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150979
PNG
(US8981106, 168)
Show SMILES OB(O)c1ccccc1COc1ccc(cn1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C18H15BFN3O4/c20-14-6-7-16(21-10-14)23-18(24)12-5-8-17(22-9-12)27-11-13-3-1-2-4-15(13)19(25)26/h1-10,25-26H,11H2,(H,21,23,24)
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n/an/a 32n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150975
PNG
(US8981106, 165 | USRE47267, Compound 165)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1O
Show InChI InChI=1S/C19H16BFN2O4S/c21-14-6-7-16(17(24)9-14)23-19(25)12-5-8-18(22-10-12)28-11-13-3-1-2-4-15(13)20(26)27/h1-10,24,26-27H,11H2,(H,23,25)
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n/an/a 37n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150811
PNG
(US8981106, 1 (SX-517) | USRE47267, Compound 1)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H16BFN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,25-26H,12H2,(H,23,24)
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n/an/a 38n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150813
PNG
(US8981106, 3)
Show SMILES OB(O)c1ccc(F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15BF2N2O3S/c21-14-2-5-16(6-3-14)24-19(25)12-1-8-18(23-10-12)28-11-13-9-15(22)4-7-17(13)20(26)27/h1-10,26-27H,11H2,(H,24,25)
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n/an/a 52n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150828
PNG
(US8981106, 17)
Show SMILES CC1(C)C2CC1C1(C)OB(OC1C2)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1 |THB:10:11:1:4,8:6:1:4,7:6:1:4|
Show InChI InChI=1S/C29H30BFN2O3S/c1-28(2)20-14-24(28)29(3)25(15-20)35-30(36-29)23-7-5-4-6-19(23)17-37-26-13-8-18(16-32-26)27(34)33-22-11-9-21(31)10-12-22/h4-13,16,20,24-25H,14-15,17H2,1-3H3,(H,33,34)
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n/an/a 59n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150830
PNG
(US8981106, 19 | USRE47267, Compound 19)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C26H25BF4N2O4S/c1-24(2)25(3,4)37-27(36-24)21-11-10-20(35-26(29,30)31)13-17(21)15-38-22-12-5-16(14-32-22)23(34)33-19-8-6-18(28)7-9-19/h5-14H,15H2,1-4H3,(H,33,34)
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n/an/a 72n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150966
PNG
(US8981106, 155 | USRE47267, Compound 155)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)N(Cc1ccccn1)c1ccc(F)cc1
Show InChI InChI=1S/C25H21BFN3O3S/c27-20-9-11-22(12-10-20)30(16-21-6-3-4-14-28-21)25(31)18-8-13-24(29-15-18)34-17-19-5-1-2-7-23(19)26(32)33/h1-15,32-33H,16-17H2
PDB

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n/an/a 78n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150814
PNG
(US8981106, 4)
Show SMILES COc1ccc(B(O)O)c(CSc2ccc(cn2)C(=O)Nc2ccc(F)cc2)c1
Show InChI InChI=1S/C20H18BFN2O4S/c1-28-17-7-8-18(21(26)27)14(10-17)12-29-19-9-2-13(11-23-19)20(25)24-16-5-3-15(22)4-6-16/h2-11,26-27H,12H2,1H3,(H,24,25)
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n/an/a 79n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150949
PNG
(US8981106, 138)
Show SMILES [O-]C(=O)c1cc(on1)C(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C18H12FN3O5S/c19-11-2-4-12(5-3-11)21-17(24)10-1-6-16(20-8-10)28-9-14(23)15-7-13(18(25)26)22-27-15/h1-8H,9H2,(H,21,24)(H,25,26)/p-1
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n/an/a 81n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150973
PNG
(US8981106, 163)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(O)cc1
Show InChI InChI=1S/C19H17BN2O4S/c23-16-8-6-15(7-9-16)22-19(24)13-5-10-18(21-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11,23,25-26H,12H2,(H,22,24)
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n/an/a 105n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150831
PNG
(US8981106, 20)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(CSc2ccc(cn2)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C25H26BFN2O3S/c1-24(2)25(3,4)32-26(31-24)19-8-5-17(6-9-19)16-33-22-14-7-18(15-28-22)23(30)29-21-12-10-20(27)11-13-21/h5-15H,16H2,1-4H3,(H,29,30)
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n/an/a 112n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150978
PNG
(US8981106, 167)
Show SMILES OB(O)c1ccccc1CSc1ncc(cn1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C17H14BFN4O3S/c19-13-5-6-15(20-9-13)23-16(24)12-7-21-17(22-8-12)27-10-11-3-1-2-4-14(11)18(25)26/h1-9,25-26H,10H2,(H,20,23,24)
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n/an/a 116n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150981
PNG
(US8981106, 170)
Show SMILES OB(O)c1ccccc1CSc1ncc(cc1Cl)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C18H14BClFN3O3S/c20-15-7-12(17(25)24-16-6-5-13(21)9-22-16)8-23-18(15)28-10-11-3-1-2-4-14(11)19(26)27/h1-9,26-27H,10H2,(H,22,24,25)
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n/an/a 166n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150837
PNG
(US8981106, 26 | USRE47267, Compound 26)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccccc3-c3nn[nH]n3)nc2)cc1
Show InChI InChI=1S/C20H15FN6OS/c21-15-6-8-16(9-7-15)23-20(28)13-5-10-18(22-11-13)29-12-14-3-1-2-4-17(14)19-24-26-27-25-19/h1-11H,12H2,(H,23,28)(H,24,25,26,27)
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n/an/a 173n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150951
PNG
(US8981106, 140)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)c3ccc4OCCOc4c3)nc2)cc1
Show InChI InChI=1S/C22H17FN2O4S/c23-16-3-5-17(6-4-16)25-22(27)15-2-8-21(24-12-15)30-13-18(26)14-1-7-19-20(11-14)29-10-9-28-19/h1-8,11-12H,9-10,13H2,(H,25,27)
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n/an/a 194n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150901
PNG
(US8981106, 90)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)c3cccc(Cl)c3)nc2)cc1
Show InChI InChI=1S/C20H14ClFN2O2S/c21-15-3-1-2-13(10-15)18(25)12-27-19-9-4-14(11-23-19)20(26)24-17-7-5-16(22)6-8-17/h1-11H,12H2,(H,24,26)
PDB

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n/an/a 210n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150876
PNG
(US8981106, 65)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccc4nonc4c3)nc2)cc1
Show InChI InChI=1S/C19H13FN4O2S/c20-14-3-5-15(6-4-14)22-19(25)13-2-8-18(21-10-13)27-11-12-1-7-16-17(9-12)24-26-23-16/h1-10H,11H2,(H,22,25)
PDB

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n/an/a 216n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150827
PNG
(US8981106, 16)
Show SMILES CC1(C)OB(OC1(C)C)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C25H26BFN2O3S/c1-24(2)25(3,4)32-26(31-24)21-8-6-5-7-18(21)16-33-22-14-9-17(15-28-22)23(30)29-20-12-10-19(27)11-13-20/h5-15H,16H2,1-4H3,(H,29,30)
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n/an/a 275n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150822
PNG
(US8981106, 13 (SX-578) | USRE47267, Compound 13)
Show SMILES Oc1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C19H15FN2O2S/c20-15-6-8-16(9-7-15)22-19(24)13-5-10-18(21-11-13)25-12-14-3-1-2-4-17(14)23/h1-11,23H,12H2,(H,22,24)
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n/an/a 277n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150969
PNG
(US8981106, 159 | USRE47267, Compound 159)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(OC(F)(F)F)cc1
Show InChI InChI=1S/C20H16BF3N2O4S/c22-20(23,24)30-16-8-6-15(7-9-16)26-19(27)13-5-10-18(25-11-13)31-12-14-3-1-2-4-17(14)21(28)29/h1-11,28-29H,12H2,(H,26,27)
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n/an/a 278n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150974
PNG
(US8981106, 164)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C18H15BFN3O3S/c20-14-6-7-16(21-10-14)23-18(24)12-5-8-17(22-9-12)27-11-13-3-1-2-4-15(13)19(25)26/h1-10,25-26H,11H2,(H,21,23,24)
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n/an/a 294n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150861
PNG
(US8981106, 50)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3cccc4OCCCOc34)nc2)cc1
Show InChI InChI=1S/C22H19FN2O3S/c23-17-6-8-18(9-7-17)25-22(26)15-5-10-20(24-13-15)29-14-16-3-1-4-19-21(16)28-12-2-11-27-19/h1,3-10,13H,2,11-12,14H2,(H,25,26)
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n/an/a 350n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150819
PNG
(US8981106, 9)
Show SMILES OB(O)c1ccccc1CCSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H18BFN2O3S/c22-16-6-8-17(9-7-16)24-20(25)15-5-10-19(23-13-15)28-12-11-14-3-1-2-4-18(14)21(26)27/h1-10,13,26-27H,11-12H2,(H,24,25)
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n/an/a 387n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150821
PNG
(US8981106, 12)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCc3ccccc3)nc2)cc1
Show InChI InChI=1S/C19H15FN2OS/c20-16-7-9-17(10-8-16)22-19(23)15-6-11-18(21-12-15)24-13-14-4-2-1-3-5-14/h1-12H,13H2,(H,22,23)
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n/an/a 393n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150972
PNG
(US8981106, 162)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccncc1
Show InChI InChI=1S/C18H16BN3O3S/c23-18(22-15-7-9-20-10-8-15)13-5-6-17(21-11-13)26-12-14-3-1-2-4-16(14)19(24)25/h1-11,24-25H,12H2,(H,20,22,23)
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n/an/a 520n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150963
PNG
(US8981106, 152)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)c3cc(Br)cc4CCOc34)nc2)cc1
Show InChI InChI=1S/C22H16BrFN2O3S/c23-15-9-13-7-8-29-21(13)18(10-15)19(27)12-30-20-6-1-14(11-25-20)22(28)26-17-4-2-16(24)3-5-17/h1-6,9-11H,7-8,12H2,(H,26,28)
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n/an/a 529n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150887
PNG
(US8981106, 76)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC3CCCO3)nc2)cc1
Show InChI InChI=1S/C17H17FN2O2S/c18-13-4-6-14(7-5-13)20-17(21)12-3-8-16(19-10-12)23-11-15-2-1-9-22-15/h3-8,10,15H,1-2,9,11H2,(H,20,21)
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n/an/a 542n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150826
PNG
(US8981106, 15)
Show SMILES CC1(C)OB(OC1(C)C)c1ccccc1CCSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C26H28BFN2O3S/c1-25(2)26(3,4)33-27(32-25)22-8-6-5-7-18(22)15-16-34-23-14-9-19(17-29-23)24(31)30-21-12-10-20(28)11-13-21/h5-14,17H,15-16H2,1-4H3,(H,30,31)
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n/an/a 611n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150820
PNG
(US8981106, 10)
Show SMILES OB(O)CCCCSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C16H18BFN2O3S/c18-13-4-6-14(7-5-13)20-16(21)12-3-8-15(19-11-12)24-10-2-1-9-17(22)23/h3-8,11,22-23H,1-2,9-10H2,(H,20,21)
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n/an/a 689n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150962
PNG
(US8981106, 151)
Show SMILES Cn1c(nc2ccccc12)C(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C22H17FN4O2S/c1-27-18-5-3-2-4-17(18)26-21(27)19(28)13-30-20-11-6-14(12-24-20)22(29)25-16-9-7-15(23)8-10-16/h2-12H,13H2,1H3,(H,25,29)
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n/an/a 703n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150832
PNG
(US8981106, 21)
Show SMILES COC(=O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C21H17FN2O3S/c1-27-21(26)18-5-3-2-4-15(18)13-28-19-11-6-14(12-23-19)20(25)24-17-9-7-16(22)8-10-17/h2-12H,13H2,1H3,(H,24,25)
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n/an/a 759n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150862
PNG
(US8981106, 51)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC3COc4ccccc4O3)nc2)cc1
Show InChI InChI=1S/C21H17FN2O3S/c22-15-6-8-16(9-7-15)24-21(25)14-5-10-20(23-11-14)28-13-17-12-26-18-3-1-2-4-19(18)27-17/h1-11,17H,12-13H2,(H,24,25)
PDB

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n/an/a 760n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150943
PNG
(US8981106, 132)
Show SMILES Cc1c(sc2ccc(Cl)cc12)C(=O)CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C23H16ClFN2O2S2/c1-13-18-10-15(24)3-8-20(18)31-22(13)19(28)12-30-21-9-2-14(11-26-21)23(29)27-17-6-4-16(25)5-7-17/h2-11H,12H2,1H3,(H,27,29)
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n/an/a 780n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150900
PNG
(US8981106, 89)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)c3cccc(Br)c3)nc2)cc1
Show InChI InChI=1S/C20H14BrFN2O2S/c21-15-3-1-2-13(10-15)18(25)12-27-19-9-4-14(11-23-19)20(26)24-17-7-5-16(22)6-8-17/h1-11H,12H2,(H,24,26)
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n/an/a 852n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150977
PNG
(US8981106, 157)
Show SMILES OB(O)c1ccccc1CSc1ccc(cn1)C(=O)N(Cc1ccncc1)c1ccc(F)cc1
Show InChI InChI=1S/C25H21BFN3O3S/c27-21-6-8-22(9-7-21)30(16-18-11-13-28-14-12-18)25(31)19-5-10-24(29-15-19)34-17-20-3-1-2-4-23(20)26(32)33/h1-15,32-33H,16-17H2
PDB

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n/an/a 890n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150818
PNG
(US8981106, 8)
Show SMILES OB(O)c1ccc(CSc2ccc(cn2)C(=O)Nc2ccc(F)cc2)cc1
Show InChI InChI=1S/C19H16BFN2O3S/c21-16-6-8-17(9-7-16)23-19(24)14-3-10-18(22-11-14)27-12-13-1-4-15(5-2-13)20(25)26/h1-11,25-26H,12H2,(H,23,24)
PDB

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n/an/a 899n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150930
PNG
(US8981106, 119)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)c3cc4ccc(Br)cc4o3)nc2)cc1
Show InChI InChI=1S/C22H14BrFN2O3S/c23-15-3-1-13-9-20(29-19(13)10-15)18(27)12-30-21-8-2-14(11-25-21)22(28)26-17-6-4-16(24)5-7-17/h1-11H,12H2,(H,26,28)
PDB

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n/an/a 981n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150825
PNG
(US8981106, 14a)
Show SMILES CC(=O)Oc1ccc(OC(F)(F)F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C22H16F4N2O4S/c1-13(29)31-19-8-7-18(32-22(24,25)26)10-15(19)12-33-20-9-2-14(11-27-20)21(30)28-17-5-3-16(23)4-6-17/h2-11H,12H2,1H3,(H,28,30)
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n/an/a 1.06E+3n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150915
PNG
(US8981106, 104 | USRE47267, Compound 104)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)c3ccc(cc3)-c3nn[nH]n3)nc2)cc1
Show InChI InChI=1S/C21H15FN6O2S/c22-16-6-8-17(9-7-16)24-21(30)15-5-10-19(23-11-15)31-12-18(29)13-1-3-14(4-2-13)20-25-27-28-26-20/h1-11H,12H2,(H,24,30)(H,25,26,27,28)
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US Patent
n/an/a 1.15E+3n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150987
PNG
(US8981106, 176)
Show SMILES Oc1ccc(OC(F)(F)F)cc1CS(=O)(=O)c1ccc(cn1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C19H13F4N3O5S/c20-13-2-5-16(24-9-13)26-18(28)11-1-6-17(25-8-11)32(29,30)10-12-7-14(3-4-15(12)27)31-19(21,22)23/h1-9,27H,10H2,(H,24,26,28)
PDB

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n/an/a 1.19E+3n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150881
PNG
(US8981106, 70)
Show SMILES Cc1nc(sc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1)-c1ccccc1
Show InChI InChI=1S/C23H18FN3OS2/c1-15-20(30-23(26-15)16-5-3-2-4-6-16)14-29-21-12-7-17(13-25-21)22(28)27-19-10-8-18(24)9-11-19/h2-13H,14H2,1H3,(H,27,28)
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n/an/a 1.21E+3n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150829
PNG
(US8981106, 18)
Show SMILES CC1(C)OB(OC1(C)C)c1ccc(F)cc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C25H25BF2N2O3S/c1-24(2)25(3,4)33-26(32-24)21-11-8-19(28)13-17(21)15-34-22-12-5-16(14-29-22)23(31)30-20-9-6-18(27)7-10-20/h5-14H,15H2,1-4H3,(H,30,31)
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n/an/a 1.23E+3n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150986
PNG
(US8981106, 175)
Show SMILES Oc1ccc(OC(F)(F)F)cc1CS(=O)c1ccc(cn1)C(=O)Nc1ccc(F)cn1
Show InChI InChI=1S/C19H13F4N3O4S/c20-13-2-5-16(24-9-13)26-18(28)11-1-6-17(25-8-11)31(29)10-12-7-14(3-4-15(12)27)30-19(21,22)23/h1-9,27H,10H2,(H,24,26,28)
PDB

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n/an/a 1.23E+3n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150964
PNG
(US8981106, 153)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)C(c3ccccc3)c3ccccc3)nc2)cc1
Show InChI InChI=1S/C27H21FN2O2S/c28-22-12-14-23(15-13-22)30-27(32)21-11-16-25(29-17-21)33-18-24(31)26(19-7-3-1-4-8-19)20-9-5-2-6-10-20/h1-17,26H,18H2,(H,30,32)
PDB

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US Patent
n/an/a 1.23E+3n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150938
PNG
(US8981106, 127)
Show SMILES Fc1ccc(NC(=O)c2ccc(SCC(=O)c3csc4ccc(Br)cc34)nc2)cc1
Show InChI InChI=1S/C22H14BrFN2O2S2/c23-14-2-7-20-17(9-14)18(11-29-20)19(27)12-30-21-8-1-13(10-25-21)22(28)26-16-5-3-15(24)4-6-16/h1-11H,12H2,(H,26,28)
PDB

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n/an/a 1.25E+3n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 2


(Homo sapiens (Human))
BDBM150835
PNG
(US8981106, 24)
Show SMILES OC(=O)c1ccccc1CSc1ccc(cn1)C(=O)Nc1ccc(F)cc1
Show InChI InChI=1S/C20H15FN2O3S/c21-15-6-8-16(9-7-15)23-19(24)13-5-10-18(22-11-13)27-12-14-3-1-2-4-17(14)20(25)26/h1-11H,12H2,(H,23,24)(H,25,26)
PDB

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US Patent
n/an/a 1.48E+3n/an/an/an/an/a37



Syntrix Biosystems, Inc.

US Patent


Assay Description
An in vitro assay showed inhibition of CXCR2-mediated intracellular calcium release. Briefly, human neutrophils were suspended in HBSS- (without Ca2+...


US Patent US8981106 (2015)


BindingDB Entry DOI: 10.7270/Q2WW7GC1
More data for this
Ligand-Target Pair
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