Found 8 hits of Enzyme Inhibition Constant Data 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)) | BDBM50159214
(CHEMBL438934)Show SMILES [#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6@@H]-3-[#6]-[#6]-[#6]-[#7]-3-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccc(-[#8])cc3)-[#7]-[#6](=O)-[#6@H](-[#6]-[#16]-[#16]-[#6]-[#6@@H](-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6]-2=O)-[#6](=O)-[#7]-[#6@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#6](-[#8])=O)-[#7]-[#6](=O)-[#6@@H](-[#6])-[#7]-[#6](=O)-[#6@@H](-[#6]-[#6]-[#6]-[#7]-[#6](-[#7])=[#7])-[#7]-[#6](=O)-[#6@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])cc1 Show InChI InChI=1S/C81H137N33O18S2/c1-44(102-64(118)51(17-8-34-97-77(87)88)103-63(117)49(84)14-7-33-96-76(85)86)62(116)112-59-42-133-134-43-60(71(125)109-56(75(129)130)21-12-37-100-80(93)94)113-68(122)54(20-11-38-101-81(95)131)105-66(120)53(19-10-36-99-79(91)92)107-70(124)58(41-46-25-29-48(132-2)30-26-46)111-73(127)61-22-13-39-114(61)74(128)55(16-4-6-32-83)108-67(121)50(15-3-5-31-82)104-65(119)52(18-9-35-98-78(89)90)106-69(123)57(110-72(59)126)40-45-23-27-47(115)28-24-45/h23-30,44,49-61,115H,3-22,31-43,82-84H2,1-2H3,(H,102,118)(H,103,117)(H,104,119)(H,105,120)(H,106,123)(H,107,124)(H,108,121)(H,109,125)(H,110,126)(H,111,127)(H,112,116)(H,113,122)(H,129,130)(H4,85,86,96)(H4,87,88,97)(H4,89,90,98)(H4,91,92,99)(H4,93,94,100)(H3,95,101,131)/t44-,49-,50+,51-,52-,53+,54-,55-,56-,57+,58-,59+,60-,61+/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells |
J Med Chem 48: 380-91 (2005)
Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50159213
(CHEMBL370001 | N-{3-[10-(3-Guanidino-propyl)-4-(4-...)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C35H45N11O6/c36-33(37)40-15-3-7-25-29(48)42-26(8-4-16-41-34(38)39)30(49)44-27(19-21-9-12-22-5-1-2-6-23(22)17-21)32(51)46-35(52)45-28(31(50)43-25)18-20-10-13-24(47)14-11-20/h1-2,5-6,9-14,17,25-28,47H,3-4,7-8,15-16,18-19H2,(H,42,48)(H,43,50)(H,44,49)(H4,36,37,40)(H4,38,39,41)(H2,45,46,51,52)/t25-,26-,27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells |
J Med Chem 48: 380-91 (2005)
Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50410271
(CHEMBL2113071)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC[C@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C36H49N11O5/c37-35(38)42-15-3-7-28-32(50)44-26(18-23-9-12-24-5-1-2-6-25(24)17-23)20-41-21-31(49)45-30(19-22-10-13-27(48)14-11-22)34(52)47-29(33(51)46-28)8-4-16-43-36(39)40/h1-2,5-6,9-14,17,26,28-30,41,48H,3-4,7-8,15-16,18-21H2,(H,44,50)(H,45,49)(H,46,51)(H,47,52)(H4,37,38,42)(H4,39,40,43)/t26-,28-,29-,30+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 32 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells |
J Med Chem 48: 380-91 (2005)
Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50410273
(CHEMBL2113070)Show SMILES [#7]\[#6](-[#7])=[#7]\[#6]-[#6]-[#6]-[#6@@H]-1-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#7]-[#6](=O)-[#6@@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6](=O)-[#6]\[#6]=[#6]\[#6@H](-[#6]-c2ccc3ccccc3c2)-[#7]-[#6]-1=O |t:36| Show InChI InChI=1S/C37H48N10O5/c38-36(39)42-18-4-9-29-33(50)44-27(21-24-12-15-25-6-1-2-7-26(25)20-24)8-3-11-32(49)45-31(22-23-13-16-28(48)17-14-23)35(52)47-30(34(51)46-29)10-5-19-43-37(40)41/h1-3,6-8,12-17,20,27,29-31,48H,4-5,9-11,18-19,21-22H2,(H,44,50)(H,45,49)(H,46,51)(H,47,52)(H4,38,39,42)(H4,40,41,43)/b8-3+/t27-,29+,30+,31-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells |
J Med Chem 48: 380-91 (2005)
Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50410270
(CHEMBL2112323)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@@H](Cc2ccc3ccccc3c2)NC1=O Show InChI InChI=1S/C36H47N11O6/c37-35(38)41-15-3-7-26-32(51)45-27(8-4-16-42-36(39)40)33(52)47-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(50)43-20-30(49)44-29(34(53)46-26)18-21-10-13-25(48)14-11-21/h1-2,5-6,9-14,17,26-29,48H,3-4,7-8,15-16,18-20H2,(H,43,50)(H,44,49)(H,45,51)(H,46,53)(H,47,52)(H4,37,38,41)(H4,39,40,42)/t26-,27-,28+,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells |
J Med Chem 48: 380-91 (2005)
Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50410272
(CHEMBL2113067)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)CNC(=O)[C@H](Cc2ccc3ccccc3c2)\C=C/1 |c:53| Show InChI InChI=1S/C37H48N10O5/c38-36(39)42-17-3-7-28-14-13-27(20-24-9-12-25-5-1-2-6-26(25)19-24)33(50)44-22-32(49)46-31(21-23-10-15-29(48)16-11-23)35(52)47-30(34(51)45-28)8-4-18-43-37(40)41/h1-2,5-6,9-16,19,27-28,30-31,48H,3-4,7-8,17-18,20-22H2,(H,44,50)(H,45,51)(H,46,49)(H,47,52)(H4,38,39,42)(H4,40,41,43)/b14-13-/t27-,28-,30-,31+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells |
J Med Chem 48: 380-91 (2005)
Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50410274
(CHEMBL2096822)Show SMILES NC(=N)NCCC[C@@H]1NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](Cc2ccc(O)cc2)NC(=O)NC(=O)[C@@H](Cc2ccc3ccccc3c2)\C=C/1 |c:52| Show InChI InChI=1S/C36H46N10O5/c37-34(38)41-17-3-7-27-14-13-26(20-23-9-12-24-5-1-2-6-25(24)19-23)31(48)46-36(51)45-30(21-22-10-15-28(47)16-11-22)33(50)44-29(32(49)43-27)8-4-18-42-35(39)40/h1-2,5-6,9-16,19,26-27,29-30,47H,3-4,7-8,17-18,20-21H2,(H,43,49)(H,44,50)(H4,37,38,41)(H4,39,40,42)(H2,45,46,48,51)/b14-13-/t26-,27+,29+,30-/m1/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.10E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells |
J Med Chem 48: 380-91 (2005)
Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98 |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50159211
(CHEMBL192290 | N-{3-[2-(3-Guanidino-propyl)-8-(4-h...)Show SMILES NC(=N)NCCC[C@H]1CN[C@@H](Cc2ccc3ccccc3c2)C(=O)NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N1 Show InChI InChI=1S/C35H47N11O5/c36-33(37)40-15-3-7-25-20-42-28(19-22-9-12-23-5-1-2-6-24(23)17-22)31(49)46-35(51)45-29(18-21-10-13-26(47)14-11-21)32(50)44-27(30(48)43-25)8-4-16-41-34(38)39/h1-2,5-6,9-14,17,25,27-29,42,47H,3-4,7-8,15-16,18-20H2,(H,43,48)(H,44,50)(H4,36,37,40)(H4,38,39,41)(H2,45,46,49,51)/t25-,27-,28-,29+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >1.00E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
Kyoto University
Curated by ChEMBL
| Assay Description
Inhibition of [125I]-SDF-1 binding to C-X-C chemokine receptor type 4 expressed in CHO cells |
J Med Chem 48: 380-91 (2005)
Article DOI: 10.1021/jm049429h
BindingDB Entry DOI: 10.7270/Q27S7N98 |
More data for this
Ligand-Target Pair | |
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