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Compile Data Set for Download or QSAR

Found 95 hits with Last Name = 'bridger' and Initial = 'gj'   
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 4 (CXCR4)


(Homo sapiens (Human))
BDBM50270276
PNG
(CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...)
Show SMILES C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2
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10n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50270276
PNG
(CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...)
Show SMILES C(NCc1ccccn1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C24H38N6/c1-2-13-29-24(5-1)20-28-19-22-6-8-23(9-7-22)21-30-17-4-12-26-15-14-25-10-3-11-27-16-18-30/h1-2,5-9,13,25-28H,3-4,10-12,14-21H2
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110n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cells


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50035696
PNG
(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
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220n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50035696
PNG
(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
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890n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Displacement of [125I]12G5 antibody from human wild type CXCR4 expressed in COS7 cells


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50270277
PNG
(Benzyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmeth...)
Show SMILES C(NCc1ccc(CN2CCCNCCNCCCNCC2)cc1)c1ccccc1
Show InChI InChI=1S/C25H39N5/c1-2-6-23(7-3-1)20-29-21-24-8-10-25(11-9-24)22-30-18-5-14-27-16-15-26-12-4-13-28-17-19-30/h1-3,6-11,26-29H,4-5,12-22H2
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1.70E+3n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50035719
PNG
(1-(4-Methyl-benzyl)-1,4,8,11tetraaza-cyclotetradec...)
Show SMILES Cc1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C18H32N4/c1-17-4-6-18(7-5-17)16-22-14-3-10-20-12-11-19-8-2-9-21-13-15-22/h4-7,19-21H,2-3,8-16H2,1H3
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2.00E+4n/an/an/an/an/an/an/an/a



University of Copenhagen

Curated by ChEMBL


Assay Description
Antagonist activity at human wild type CXCR4 expressed in COS7 cells coexpressing G protein Gqi4myr assessed as inhibition of CXCL12-induced phosphat...


J Biol Chem 282: 27354-65 (2007)


Article DOI: 10.1074/jbc.M704739200
BindingDB Entry DOI: 10.7270/Q26Q1X1Q
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50369468
PNG
(CHEMBL1202231)
Show SMILES C(N1CCNCCc2cccc(CCNCC1)n2)c1ccc(CN2CCNCCc3cccc(CCNCC2)n3)cc1
Show InChI InChI=1S/C34H50N8/c1-3-31-11-15-35-19-23-41(24-20-36-16-12-32(4-1)39-31)27-29-7-9-30(10-8-29)28-42-25-21-37-17-13-33-5-2-6-34(40-33)14-18-38-22-26-42/h1-10,35-38H,11-28H2
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n/an/a 1n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050929
PNG
(2-((S)-2-{(S)-2-[3-(4-Methoxy-phenyl)-ureido]-4-me...)
Show SMILES COc1ccc(NC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)NC(Cc2ccccc2)C(O)=O)cc1
Show InChI InChI=1S/C28H38N4O6S/c1-18(2)16-23(26(34)31-24(27(35)36)17-19-8-6-5-7-9-19)30-25(33)22(14-15-39-4)32-28(37)29-20-10-12-21(38-3)13-11-20/h5-13,18,22-24H,14-17H2,1-4H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24?/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050933
PNG
((S)-2-((S)-2-{(S)-2-[3-(4-Chloro-phenyl)-ureido]-4...)
Show SMILES CSCC[C@H](NC(=O)Nc1ccc(Cl)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H35ClN4O5S/c1-17(2)15-22(25(34)31-23(26(35)36)16-18-7-5-4-6-8-18)30-24(33)21(13-14-38-3)32-27(37)29-20-11-9-19(28)10-12-20/h4-12,17,21-23H,13-16H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t21-,22-,23-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050935
PNG
((S)-2-{(S)-4-Methyl-2-[(S)-4-methylsulfanyl-2-(3-p...)
Show SMILES CSCC[C@H](NC(=O)Nc1ccc(C)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H38N4O5S/c1-18(2)16-23(26(34)31-24(27(35)36)17-20-8-6-5-7-9-20)30-25(33)22(14-15-38-4)32-28(37)29-21-12-10-19(3)11-13-21/h5-13,18,22-24H,14-17H2,1-4H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24-/m0/s1
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n/an/a 2n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50035696
PNG
(1,1''-{1,4-phenylenebis(methylene)}-bis{1,4,8,11-t...)
Show SMILES C(N1CCCNCCNCCCNCC1)c1ccc(CN2CCCNCCNCCCNCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-15-17-31-13-3-21-35(23-19-33-11-1)25-27-5-7-28(8-6-27)26-36-22-4-14-32-18-16-30-10-2-12-34-20-24-36/h5-8,29-34H,1-4,9-26H2
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n/an/a 7n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315287
PNG
((R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...)
Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r|
Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1
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n/an/a 11n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315305
PNG
((S)-N-((1H-benzo[d]imidazol-2-yl)methyl)-N-(4-amin...)
Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@H]1CCCc2cccnc12 |r|
Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m0/s1
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n/an/a 13n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050928
PNG
((S)-2-[(R)-4-Methyl-2-((S)-2-{(R)-4-methyl-2-[(S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H58N6O7/c1-30(2)24-37(50-45(57)40(28-34-19-11-7-12-20-34)53-47(60)48-36-23-15-16-32(5)26-36)42(54)51-39(27-33-17-9-6-10-18-33)44(56)49-38(25-31(3)4)43(55)52-41(46(58)59)29-35-21-13-8-14-22-35/h6-23,26,30-31,37-41H,24-25,27-29H2,1-5H3,(H,49,56)(H,50,57)(H,51,54)(H,52,55)(H,58,59)(H2,48,53,60)/t37-,38-,39+,40+,41+/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050937
PNG
((S)-2-[(S)-2-((S)-2-Formylamino-4-methylsulfanyl-b...)
Show SMILES CSCC[C@H](NC=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C21H31N3O5S/c1-14(2)11-17(23-19(26)16(22-13-25)9-10-30-3)20(27)24-18(21(28)29)12-15-7-5-4-6-8-15/h4-8,13-14,16-18H,9-12H2,1-3H3,(H,22,25)(H,23,26)(H,24,27)(H,28,29)/t16-,17-,18-/m0/s1
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n/an/a 20n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050945
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Adamantan-1-y...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |TLB:42:43:47:41.40.46,46:41:48:45.47.44,46:45:48:41.40.42,THB:42:41:47:43.48.44|
Show InChI InChI=1S/C50H66N6O7/c1-31(2)20-39(52-47(60)42(26-34-16-10-6-11-17-34)55-49(63)56-50-28-36-22-37(29-50)24-38(23-36)30-50)44(57)53-41(25-33-14-8-5-9-15-33)46(59)51-40(21-32(3)4)45(58)54-43(48(61)62)27-35-18-12-7-13-19-35/h5-19,31-32,36-43H,20-30H2,1-4H3,(H,51,59)(H,52,60)(H,53,57)(H,54,58)(H,61,62)(H2,55,56,63)/t36?,37?,38?,39-,40-,41+,42+,43+,50?/m1/s1
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n/an/a 20n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315287
PNG
((R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...)
Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r|
Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1
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n/an/a 22n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050946
PNG
((S)-2-{(S)-4-Methyl-2-[(S)-4-methylsulfanyl-2-(3-p...)
Show SMILES CSCC[C@H](NC(=O)Nc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C27H36N4O5S/c1-18(2)16-22(25(33)30-23(26(34)35)17-19-10-6-4-7-11-19)29-24(32)21(14-15-37-3)31-27(36)28-20-12-8-5-9-13-20/h4-13,18,21-23H,14-17H2,1-3H3,(H,29,32)(H,30,33)(H,34,35)(H2,28,31,36)/t21-,22-,23-/m0/s1
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n/an/a 30n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050942
PNG
((S)-2-[(R)-4-Methyl-2-((S)-2-{(R)-4-methyl-2-[(S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H56N6O7/c1-30(2)25-36(49-44(56)39(28-33-19-11-6-12-20-33)52-46(59)47-35-23-15-8-16-24-35)41(53)50-38(27-32-17-9-5-10-18-32)43(55)48-37(26-31(3)4)42(54)51-40(45(57)58)29-34-21-13-7-14-22-34/h5-24,30-31,36-40H,25-29H2,1-4H3,(H,48,55)(H,49,56)(H,50,53)(H,51,54)(H,57,58)(H2,47,52,59)/t36-,37-,38+,39+,40+/m1/s1
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n/an/a 50n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315290
PNG
(CHEMBL1093008 | N-[(1H-Benzo[d]midazol-2-yl)methyl...)
Show SMILES NCc1ccccc1CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C25H27N5/c26-15-19-7-1-2-8-20(19)16-30(17-24-28-21-11-3-4-12-22(21)29-24)23-13-5-9-18-10-6-14-27-25(18)23/h1-4,6-8,10-12,14,23H,5,9,13,15-17,26H2,(H,28,29)
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n/an/a 50n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50081406
PNG
(1,5,8,11-tetraazacyclotetradecanyl[4-(1,5,8,11-tet...)
Show SMILES C(N1CCCNCCNCCNCCC1)c1ccc(CN2CCCNCCNCCNCCC2)cc1
Show InChI InChI=1S/C28H54N8/c1-9-29-13-17-33-18-14-30-10-2-22-35(21-1)25-27-5-7-28(8-6-27)26-36-23-3-11-31-15-19-34-20-16-32-12-4-24-36/h5-8,29-34H,1-4,9-26H2
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n/an/a 67n/an/an/an/an/an/a



AnorMED Inc.

Curated by ChEMBL


Assay Description
Inhibitory activity against CX3C chemokine receptor 4-specific monoclonal antibody 12G5 (mAb-12G5) binding to human chemokinin receptor CXCR4 in lymp...


J Med Chem 42: 3971-81 (1999)


BindingDB Entry DOI: 10.7270/Q2K0750M
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315295
PNG
(CHEMBL1088912 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...)
Show SMILES NCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C20H25N5/c21-11-5-13-25(14-19-23-16-8-1-2-9-17(16)24-19)18-10-3-6-15-7-4-12-22-20(15)18/h1-2,4,7-9,12,18H,3,5-6,10-11,13-14,21H2,(H,23,24)
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n/an/a 68n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315297
PNG
(CHEMBL1088916 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...)
Show SMILES NCCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C23H31N5/c24-14-5-1-2-6-16-28(17-22-26-19-11-3-4-12-20(19)27-22)21-13-7-9-18-10-8-15-25-23(18)21/h3-4,8,10-12,15,21H,1-2,5-7,9,13-14,16-17,24H2,(H,26,27)
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n/an/a 75n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315291
PNG
((Z)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...)
Show SMILES NC\C=C/CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C21H25N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-4,6,8-10,13,19H,5,7,11-12,14-15,22H2,(H,24,25)/b4-3-
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n/an/a 77n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315298
PNG
(CHEMBL1092301 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...)
Show SMILES CN(C)CCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C23H31N5/c1-27(2)15-5-6-16-28(17-22-25-19-11-3-4-12-20(19)26-22)21-13-7-9-18-10-8-14-24-23(18)21/h3-4,8,10-12,14,21H,5-7,9,13,15-17H2,1-2H3,(H,25,26)
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n/an/a 87n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050926
PNG
((S)-2-((R)-4-Methyl-2-{(S)-2-[(R)-4-methyl-2-((S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H52N6O7/c1-25(2)20-30(43-38(50)33(46-40(41)53)23-28-16-10-6-11-17-28)35(47)44-32(22-27-14-8-5-9-15-27)37(49)42-31(21-26(3)4)36(48)45-34(39(51)52)24-29-18-12-7-13-19-29/h5-19,25-26,30-34H,20-24H2,1-4H3,(H,42,49)(H,43,50)(H,44,47)(H,45,48)(H,51,52)(H3,41,46,53)/t30-,31-,32+,33+,34+/m1/s1
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n/an/a 100n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050939
PNG
((S)-2-{(S)-4-Methyl-2-[(S)-4-methylsulfanyl-2-(3-m...)
Show SMILES CSCC[C@H](NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H38N4O5S/c1-18(2)15-23(26(34)31-24(27(35)36)17-20-10-6-5-7-11-20)30-25(33)22(13-14-38-4)32-28(37)29-21-12-8-9-19(3)16-21/h5-12,16,18,22-24H,13-15,17H2,1-4H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24-/m0/s1
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n/an/a 100n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315288
PNG
(CHEMBL1092324 | N-[(1H-Benzo[d]imidazol-2-yl)methy...)
Show SMILES NCc1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1
Show InChI InChI=1S/C25H27N5/c26-15-18-10-12-19(13-11-18)16-30(17-24-28-21-7-1-2-8-22(21)29-24)23-9-3-5-20-6-4-14-27-25(20)23/h1-2,4,6-8,10-14,23H,3,5,9,15-17,26H2,(H,28,29)
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n/an/a 119n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315303
PNG
((S)-N-(2-Pyridinylmethyl)-N'-(1H-benzimidazol-2-yl...)
Show SMILES C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)[C@H]2CCCc3cccnc23)cc1 |r|
Show InChI InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)/t29-/m0/s1
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n/an/a 120n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315292
PNG
((E)-N1-((1H-Benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...)
Show SMILES NC\C=C\CN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C21H25N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-4,6,8-10,13,19H,5,7,11-12,14-15,22H2,(H,24,25)/b4-3+
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n/an/a 160n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315299
PNG
(CHEMBL1092302 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...)
Show SMILES CNCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C22H29N5/c1-23-13-4-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20,23H,4-6,8,12-13,15-16H2,1H3,(H,25,26)
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n/an/a 190n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050928
PNG
((S)-2-[(R)-4-Methyl-2-((S)-2-{(R)-4-methyl-2-[(S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1cccc(C)c1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C47H58N6O7/c1-30(2)24-37(50-45(57)40(28-34-19-11-7-12-20-34)53-47(60)48-36-23-15-16-32(5)26-36)42(54)51-39(27-33-17-9-6-10-18-33)44(56)49-38(25-31(3)4)43(55)52-41(46(58)59)29-35-21-13-8-14-22-35/h6-23,26,30-31,37-41H,24-25,27-29H2,1-5H3,(H,49,56)(H,50,57)(H,51,54)(H,52,55)(H,58,59)(H2,48,53,60)/t37-,38-,39+,40+,41+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050943
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Isopropyl-ure...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H58N6O7/c1-27(2)22-33(46-41(53)36(49-43(56)44-29(5)6)25-31-18-12-8-13-19-31)38(50)47-35(24-30-16-10-7-11-17-30)40(52)45-34(23-28(3)4)39(51)48-37(42(54)55)26-32-20-14-9-15-21-32/h7-21,27-29,33-37H,22-26H2,1-6H3,(H,45,52)(H,46,53)(H,47,50)(H,48,51)(H,54,55)(H2,44,49,56)/t33-,34-,35+,36+,37+/m1/s1
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n/an/a 200n/an/an/an/an/an/a



Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315287
PNG
((R)-N1-((1H-benzo[d]imidazol-2-yl)methyl)-N1-(5,6,...)
Show SMILES NCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc12 |r|
Show InChI InChI=1S/C21H27N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,3-5,7,11-12,14-15,22H2,(H,24,25)/t19-/m1/s1
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n/an/a 206n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Displacement of [125I]SDF-1alpha from CXCR4 in human CEM-CCRF cells by liquid scintillation counting


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315302
PNG
(CHEMBL1089434 | N-(2-Pyridinylmethyl)-N'-(1H-benzi...)
Show SMILES C(NCc1ccccn1)c1ccc(CN(Cc2nc3ccccc3[nH]2)C2CCCc3cccnc23)cc1
Show InChI InChI=1S/C31H32N6/c1-2-11-28-27(10-1)35-30(36-28)22-37(29-12-5-7-25-8-6-18-34-31(25)29)21-24-15-13-23(14-16-24)19-32-20-26-9-3-4-17-33-26/h1-4,6,8-11,13-18,29,32H,5,7,12,19-22H2,(H,35,36)
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n/an/a 250n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Inhibition of anti-CXCR4 12G5 monoclonal antibody to CXCR4 in human SUP-T1 cells pretreated for 30 mins by flow cytometry


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050945
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Adamantan-1-y...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |TLB:42:43:47:41.40.46,46:41:48:45.47.44,46:45:48:41.40.42,THB:42:41:47:43.48.44|
Show InChI InChI=1S/C50H66N6O7/c1-31(2)20-39(52-47(60)42(26-34-16-10-6-11-17-34)55-49(63)56-50-28-36-22-37(29-50)24-38(23-36)30-50)44(57)53-41(25-33-14-8-5-9-15-33)46(59)51-40(21-32(3)4)45(58)54-43(48(61)62)27-35-18-12-7-13-19-35/h5-19,31-32,36-43H,20-30H2,1-4H3,(H,51,59)(H,52,60)(H,53,57)(H,54,58)(H,61,62)(H2,55,56,63)/t36?,37?,38?,39-,40-,41+,42+,43+,50?/m1/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050931
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Butyl-ureido)...)
Show SMILES CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H60N6O7/c1-6-7-23-45-44(57)50-37(27-32-19-13-9-14-20-32)42(54)47-34(24-29(2)3)39(51)48-36(26-31-17-11-8-12-18-31)41(53)46-35(25-30(4)5)40(52)49-38(43(55)56)28-33-21-15-10-16-22-33/h8-22,29-30,34-38H,6-7,23-28H2,1-5H3,(H,46,53)(H,47,54)(H,48,51)(H,49,52)(H,55,56)(H2,45,50,57)/t34-,35-,36+,37+,38+/m1/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050934
PNG
((S)-2-{(S)-2-[(S)-2-(3-Butyl-ureido)-4-methylsulfa...)
Show SMILES CCCCNC(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H40N4O5S/c1-5-6-13-26-25(34)29-19(12-14-35-4)22(30)27-20(15-17(2)3)23(31)28-21(24(32)33)16-18-10-8-7-9-11-18/h7-11,17,19-21H,5-6,12-16H2,1-4H3,(H,27,30)(H,28,31)(H,32,33)(H2,26,29,34)/t19-,20-,21-/m0/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050927
PNG
((S)-2-{(S)-2-[(S)-2-(3-Isopropenyl-ureido)-4-methy...)
Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)\[#7]=[#6](\[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-c1ccccc1)-[#6](-[#8])=O
Show InChI InChI=1S/C24H36N4O5S/c1-15(2)13-19(22(30)27-20(23(31)32)14-17-9-7-6-8-10-17)26-21(29)18(11-12-34-5)28-24(33)25-16(3)4/h6-10,15,18-20H,11-14H2,1-5H3,(H,26,29)(H,27,30)(H,28,33)(H,31,32)/t18-,19-,20-/m0/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315300
PNG
(5-(((1H-Benzo[d]imidazol-2-yl)methyl)(5,6,7,8-tetr...)
Show SMILES N#CCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C22H25N5/c23-13-4-1-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20H,1,4-6,8,12,15-16H2,(H,25,26)
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n/an/a 442n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050943
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Isopropyl-ure...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)NC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C43H58N6O7/c1-27(2)22-33(46-41(53)36(49-43(56)44-29(5)6)25-31-18-12-8-13-19-31)38(50)47-35(24-30-16-10-7-11-17-30)40(52)45-34(23-28(3)4)39(51)48-37(42(54)55)26-32-20-14-9-15-21-32/h7-21,27-29,33-37H,22-26H2,1-6H3,(H,45,52)(H,46,53)(H,47,50)(H,48,51)(H,54,55)(H2,44,49,56)/t33-,34-,35+,36+,37+/m1/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050942
PNG
((S)-2-[(R)-4-Methyl-2-((S)-2-{(R)-4-methyl-2-[(S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(=O)Nc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C46H56N6O7/c1-30(2)25-36(49-44(56)39(28-33-19-11-6-12-20-33)52-46(59)47-35-23-15-8-16-24-35)41(53)50-38(27-32-17-9-5-10-18-32)43(55)48-37(26-31(3)4)42(54)51-40(45(57)58)29-34-21-13-7-14-22-34/h5-24,30-31,36-40H,25-29H2,1-4H3,(H,48,55)(H,49,56)(H,50,53)(H,51,54)(H,57,58)(H2,47,52,59)/t36-,37-,38+,39+,40+/m1/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315296
PNG
(CHEMBL1092596 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...)
Show SMILES NCCCCCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C22H29N5/c23-13-4-1-5-15-27(16-21-25-18-10-2-3-11-19(18)26-21)20-12-6-8-17-9-7-14-24-22(17)20/h2-3,7,9-11,14,20H,1,4-6,8,12-13,15-16,23H2,(H,25,26)
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n/an/a 514n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050940
PNG
((S)-2-{(S)-2-[(S)-2-(3-Benzyl-ureido)-4-methylsulf...)
Show SMILES CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H38N4O5S/c1-19(2)16-23(26(34)31-24(27(35)36)17-20-10-6-4-7-11-20)30-25(33)22(14-15-38-3)32-28(37)29-18-21-12-8-5-9-13-21/h4-13,19,22-24H,14-18H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24-/m0/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050931
PNG
((S)-2-[(R)-2-((S)-2-{(R)-2-[(S)-2-(3-Butyl-ureido)...)
Show SMILES CCCCNC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C44H60N6O7/c1-6-7-23-45-44(57)50-37(27-32-19-13-9-14-20-32)42(54)47-34(24-29(2)3)39(51)48-36(26-31-17-11-8-12-18-31)41(53)46-35(25-30(4)5)40(52)49-38(43(55)56)28-33-21-15-10-16-22-33/h8-22,29-30,34-38H,6-7,23-28H2,1-5H3,(H,46,53)(H,47,54)(H,48,51)(H,49,52)(H,55,56)(H2,45,50,57)/t34-,35-,36+,37+,38+/m1/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Antagonistic activity was determined by measuring the ability to inhibit superoxide production(stimulated by fMLF) using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050940
PNG
((S)-2-{(S)-2-[(S)-2-(3-Benzyl-ureido)-4-methylsulf...)
Show SMILES CSCC[C@H](NC(=O)NCc1ccccc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C28H38N4O5S/c1-19(2)16-23(26(34)31-24(27(35)36)17-20-10-6-4-7-11-20)30-25(33)22(14-15-38-3)32-28(37)29-18-21-12-8-5-9-13-21/h4-13,19,22-24H,14-18H2,1-3H3,(H,30,33)(H,31,34)(H,35,36)(H2,29,32,37)/t22-,23-,24-/m0/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050926
PNG
((S)-2-((R)-4-Methyl-2-{(S)-2-[(R)-4-methyl-2-((S)-...)
Show SMILES CC(C)C[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](CC(C)C)NC(=O)[C@H](Cc1ccccc1)NC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C40H52N6O7/c1-25(2)20-30(43-38(50)33(46-40(41)53)23-28-16-10-6-11-17-28)35(47)44-32(22-27-14-8-5-9-15-27)37(49)42-31(21-26(3)4)36(48)45-34(39(51)52)24-29-18-12-7-13-19-29/h5-19,25-26,30-34H,20-24H2,1-4H3,(H,42,49)(H,43,50)(H,44,47)(H,45,48)(H,51,52)(H3,41,46,53)/t30-,31-,32+,33+,34+/m1/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050944
PNG
((S)-2-{(S)-2-[(S)-2-(3-Adamantan-1-yl-ureido)-4-me...)
Show SMILES CSCC[C@H](NC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O |TLB:12:13:17:11.10.16,THB:12:11:17:13.18.14,14:13:10:15.17.16,14:15:10:13.18.12|
Show InChI InChI=1S/C31H46N4O5S/c1-19(2)11-25(28(37)33-26(29(38)39)15-20-7-5-4-6-8-20)32-27(36)24(9-10-41-3)34-30(40)35-31-16-21-12-22(17-31)14-23(13-21)18-31/h4-8,19,21-26H,9-18H2,1-3H3,(H,32,36)(H,33,37)(H,38,39)(H2,34,35,40)/t21?,22?,23?,24-,25-,26-,31?/m0/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
C-X-C chemokine receptor type 4 (CXCR4)


(Homo sapiens (Human))
BDBM50315293
PNG
(CHEMBL1089846 | N1-(1H-Benzo[d]imidazol-2-ylmethyl...)
Show SMILES NCC#CCN(Cc1nc2ccccc2[nH]1)C1CCCc2cccnc12
Show InChI InChI=1S/C21H23N5/c22-12-3-4-14-26(15-20-24-17-9-1-2-10-18(17)25-20)19-11-5-7-16-8-6-13-23-21(16)19/h1-2,6,8-10,13,19H,5,7,11-12,14-15,22H2,(H,24,25)
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n/an/a 973n/an/an/an/an/an/a



Genzyme Corp.

Curated by ChEMBL


Assay Description
Antagonist activity at CXCR4 in human CEM-CCRF cells assessed as inhibition of SDF-1-induced calcium flux


J Med Chem 53: 3376-88 (2010)


Article DOI: 10.1021/jm100073m
BindingDB Entry DOI: 10.7270/Q2GQ6XW9
More data for this
Ligand-Target Pair
fMet-Leu-Phe receptor 1/2


(Homo sapiens (Human))
BDBM50050938
PNG
((S)-2-{(S)-2-[(S)-2-(3-Isobutyl-ureido)-4-methylsu...)
Show SMILES CSCC[C@H](NC(=O)NCC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(O)=O
Show InChI InChI=1S/C25H40N4O5S/c1-16(2)13-20(23(31)28-21(24(32)33)14-18-9-7-6-8-10-18)27-22(30)19(11-12-35-5)29-25(34)26-15-17(3)4/h6-10,16-17,19-21H,11-15H2,1-5H3,(H,27,30)(H,28,31)(H,32,33)(H2,26,29,34)/t19-,20-,21-/m0/s1
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Johnson Matthey Biomedical Research

Curated by ChEMBL


Assay Description
Binding affinity towards fMLF receptor using human neutrophils


J Med Chem 39: 1013-5 (1996)


Article DOI: 10.1021/jm950908d
BindingDB Entry DOI: 10.7270/Q2TD9WF6
More data for this
Ligand-Target Pair
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