Found 2 hits in this display 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)) | BDBM50524294
(CHEMBL4444790)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCN)[C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C58H105N23O18S/c1-29(82)44(79-48(90)32(14-6-9-21-61)72-47(89)33(15-10-22-69-57(65)66)73-46(88)31(13-5-8-20-60)71-43(87)18-4-3-7-19-59)53(95)76-36(26-41(63)85)50(92)75-35(25-40(62)84)51(93)77-37(27-42(64)86)55(97)81-24-12-17-39(81)52(94)74-34(16-11-23-70-58(67)68)49(91)80-45(30(2)83)54(96)78-38(28-100)56(98)99/h29-39,44-45,82-83,100H,3-28,59-61H2,1-2H3,(H2,62,84)(H2,63,85)(H2,64,86)(H,71,87)(H,72,89)(H,73,88)(H,74,94)(H,75,92)(H,76,95)(H,77,93)(H,78,96)(H,79,90)(H,80,91)(H,98,99)(H4,65,66,69)(H4,67,68,70)/t29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,44+,45+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 7.42E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Diego
Curated by ChEMBL
| Assay Description
Competitive binding affinity to CXCR4 in human SupT1 cells incubated for 40 mins by 12G5 antibody based fluorescence analysis |
Eur J Med Chem 172: 174-185 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.056
BindingDB Entry DOI: 10.7270/Q2MS3X5P |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50524294
(CHEMBL4444790)Show SMILES C[C@@H](O)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](CCCCN)NC(=O)CCCCCN)[C@@H](C)O)C(=O)N[C@@H](CS)C(O)=O |r| Show InChI InChI=1S/C58H105N23O18S/c1-29(82)44(79-48(90)32(14-6-9-21-61)72-47(89)33(15-10-22-69-57(65)66)73-46(88)31(13-5-8-20-60)71-43(87)18-4-3-7-19-59)53(95)76-36(26-41(63)85)50(92)75-35(25-40(62)84)51(93)77-37(27-42(64)86)55(97)81-24-12-17-39(81)52(94)74-34(16-11-23-70-58(67)68)49(91)80-45(30(2)83)54(96)78-38(28-100)56(98)99/h29-39,44-45,82-83,100H,3-28,59-61H2,1-2H3,(H2,62,84)(H2,63,85)(H2,64,86)(H,71,87)(H,72,89)(H,73,88)(H,74,94)(H,75,92)(H,76,95)(H,77,93)(H,78,96)(H,79,90)(H,80,91)(H,98,99)(H4,65,66,69)(H4,67,68,70)/t29-,30-,31+,32+,33+,34+,35+,36+,37+,38+,39+,44+,45+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 9.12E+3 | n/a | n/a | n/a | n/a | n/a | n/a |
University of California San Diego
Curated by ChEMBL
| Assay Description
Competitive binding affinity to CXCR4 receptor (unknown origin) expressed in CHO cells incubated for 40 mins by 12G5 antibody based fluorescence anal... |
Eur J Med Chem 172: 174-185 (2019)
Article DOI: 10.1016/j.ejmech.2019.03.056
BindingDB Entry DOI: 10.7270/Q2MS3X5P |
More data for this
Ligand-Target Pair | |