Found 21 hits of ki data for polymerid = 50004570,50004571,9308 Target/Host (Institution) | Ligand | Target/Host Links | Ligand Links | Trg + Lig Links | Ki nM | ΔG° kJ/mole | IC50 nM | Kd nM | EC50/IC50 nM | koff s-1 | kon M-1s-1 | pH | Temp °C |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50335557
(CHEMBL1652605 | N,N-dipropyl-N'-[4-({[(1H-imidazol...)Show SMILES CCCN(CCC)CCCCN(C)Cc1ccc(CN(Cc2ncc[nH]2)Cc2nccn2C)cc1 Show InChI InChI=1S/C28H45N7/c1-5-16-34(17-6-2)19-8-7-18-32(3)21-25-9-11-26(12-10-25)22-35(23-27-29-13-14-30-27)24-28-31-15-20-33(28)4/h9-15,20H,5-8,16-19,21-24H2,1-4H3,(H,29,30) | PDB
UniProtKB/SwissProt
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CHEMBL MCE PC cid PC sid UniChem
| | 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50270276
(CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...)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 | PDB
UniProtKB/SwissProt
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Patents
| Article PubMed
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50270276
(CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...)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 | PDB
UniProtKB/SwissProt
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| | 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50315305
((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 | PDB
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Similars
| | 23 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
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More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50042947
(1-(4-Chloro-phenyl)-3-(4-hydroxy-3-methoxy-phenyl)...)Show InChI InChI=1S/C16H13ClO3/c1-20-16-10-11(3-9-15(16)19)2-8-14(18)12-4-6-13(17)7-5-12/h2-10,19H,1H3/b8-2+ | PDB
UniProtKB/SwissProt
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| Article PubMed
| 53 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description Inhibition of EGFP-tagged human CXCR4 expressed in HEK293 cells assessed as inhibition of CXCL12-TR binding incubated for 5 mins prior to CXCL12-TR a... |
ACS Med Chem Lett 3: 10-14 (2012)
Article DOI: 10.1021/ml200017d BindingDB Entry DOI: 10.7270/Q27H1KR7 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50615204
(CHEMBL278054) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| | 83 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50270276
(CHEMBL477121 | N-[1,4,8,11-Tetraazacyclotetradecan...)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 | PDB
UniProtKB/SwissProt
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| Article PubMed
| 110 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50035719
(1-(4-Methyl-benzyl)-1,4,8,11tetraaza-cyclotetradec...)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 | PDB
UniProtKB/SwissProt
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Patents
Similars
| | 170 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50615201
(1,3-Di(1,4,8,11-Tetraazacyclotetradecanyl)Propane ...) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| | 180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50035696
(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 | PDB
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 220 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50615202
(CHEMBL5284797) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| | 650 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50615203
(CHEMBL277955) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| | 850 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50035696
(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 | PDB
UniProtKB/SwissProt
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Patents
Similars
| Article PubMed
| 890 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50270277
(Benzyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmeth...)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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| Article PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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
(Homo sapiens (Human)) | BDBM50270277
(Benzyl-[4-(1,4,8,11tetraaza-cyclotetradec-1-ylmeth...)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 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| CHEMBL PC cid PC sid UniChem
Similars
| | 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50615200
(1,6-Di(1,4,8,11-Tetraazacyclotetradecanyl)Hexane |...) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| | 2.30E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50264279
(CHEMBL4072602)Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CN2CCCN(CC2)c2c(CC)ccn3ccnc23)CC1 |r| Show InChI InChI=1S/C27H39N5O2/c1-2-21-8-14-31-15-9-28-26(31)25(21)30-11-3-10-29(16-17-30)19-20-6-12-32(13-7-20)27(33)23-18-22-4-5-24(23)34-22/h8-9,14-15,20,22-24H,2-7,10-13,16-19H2,1H3/t22-,23-,24+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| PC cid PC sid UniChem
Similars
| Article PubMed
| >6.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]CXCL12 from CXCR4 in human Jurkat cells after 2 hrs by scintillation counting method |
J Med Chem 61: 3685-3696 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50458286
(CHEMBL2367715)Show SMILES C[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)c1ccc(CNCc2ccccn2)cc1)c1cccc2ccccc12 |r| Show InChI InChI=1S/C32H37N7O2/c1-22(27-12-6-9-24-8-2-3-11-28(24)27)38-31(41)29(13-7-19-37-32(33)34)39-30(40)25-16-14-23(15-17-25)20-35-21-26-10-4-5-18-36-26/h2-6,8-12,14-18,22,29,35H,7,13,19-21H2,1H3,(H,38,41)(H,39,40)(H4,33,34,37)/t22-,29-/m0/s1 | PDB
UniProtKB/SwissProt
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PC cid PC sid UniChem
| | 8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50264280
(CHEMBL4084050)Show SMILES [H][C@@]12CC[C@@]([H])(O1)[C@H](C2)C(=O)N1CCC(CC1)[C@H](CC(N)=O)N1CCCN(CC1)c1c(CC)ccn2ccnc12 |r| Show InChI InChI=1S/C29H42N6O3/c1-2-20-6-12-34-15-9-31-28(34)27(20)33-11-3-10-32(16-17-33)24(19-26(30)36)21-7-13-35(14-8-21)29(37)23-18-22-4-5-25(23)38-22/h6,9,12,15,21-25H,2-5,7-8,10-11,13-14,16-19H2,1H3,(H2,30,36)/t22-,23-,24-,25+/m0/s1 | PDB
UniProtKB/SwissProt
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MCE PC cid PC sid UniChem
Similars
| Article PubMed
| 1.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description Displacement of [125I]CXCL12 from CXCR4 in human Jurkat cells after 2 hrs by scintillation counting method |
J Med Chem 61: 3685-3696 (2018)
Article DOI: 10.1021/acs.jmedchem.8b00190 BindingDB Entry DOI: 10.7270/Q2KD21C4 |
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50615205
(1,4,8,11Tetraaza-Cyclotetradecane | CHEBI:37401 | ...) | PDB
UniProtKB/SwissProt
antibodypedia GoogleScholar AffyNet
| UniChem
| | 1.30E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50035719
(1-(4-Methyl-benzyl)-1,4,8,11tetraaza-cyclotetradec...)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 | PDB
UniProtKB/SwissProt
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CHEMBL PC cid PC sid UniChem
Patents
Similars
| Article PubMed
| 2.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/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 | |