Found 29 hits Enz. Inhib. hit(s) with all data for entry = 50019094 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
antibodypedia
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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
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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
antibodypedia
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CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
| | 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
UniProtKB/SwissProt
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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)) | BDBM50615204
(CHEMBL278054)Show SMILES C(N1CCCNCCNCCCNCC1)c1cccc(CN2CCCNCCNCCCNCC2)n1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 83 | 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)) | 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
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PC sid
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Similars
| | 170 | 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)) | BDBM50615201
(1,3-Di(1,4,8,11-Tetraazacyclotetradecanyl)Propane ...) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 180 | 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)) | BDBM50615202
(CHEMBL5284797)Show SMILES C(C[C@H]1CNCCCNCCNCCCN1)CN1CCCNCCNCCCNCC1 |r| | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 650 | 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)) | BDBM50615203
(CHEMBL277955)Show SMILES C(N1CCCNCCNCCCNCC1)c1ccnc(CN2CCCNCCNCCCNCC2)c1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 850 | 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)) | 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
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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
| PC cid
PC sid
UniChem
| | 2.30E+3 | 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)) | 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
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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
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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
| PC cid
PC sid
UniChem
| | 1.30E+4 | 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-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50105517
(Allyl-[1-((3S,4S)-1-benzyl-4-phenyl-pyrrolidin-3-y...)Show SMILES [O-][N+](=O)c1ccc(COC(=O)N(CC=C)C2CCN(C[C@H]3CN(Cc4ccccc4)C[C@@H]3c3ccccc3)CC2)cc1 Show InChI InChI=1S/C34H40N4O4/c1-2-19-37(34(39)42-26-28-13-15-32(16-14-28)38(40)41)31-17-20-35(21-18-31)23-30-24-36(22-27-9-5-3-6-10-27)25-33(30)29-11-7-4-8-12-29/h2-16,30-31,33H,1,17-26H2/t30-,33+/m0/s1 | PDB
KEGG
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 0.100 | 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-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104273
(CHEMBL310106 | {1-[(S)-4-(Benzenesulfonyl-methyl-a...)Show SMILES CCCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2cccc(Cl)c2)CC1)C(=O)OCc1cccc(c1)C(N)=O Show InChI InChI=1S/C34H43ClN4O5S/c1-3-18-39(34(41)44-25-26-9-7-11-28(22-26)33(36)40)31-16-20-38(21-17-31)19-15-29(27-10-8-12-30(35)23-27)24-37(2)45(42,43)32-13-5-4-6-14-32/h4-14,22-23,29,31H,3,15-21,24-25H2,1-2H3,(H2,36,40)/t29-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| | n/a | n/a | 0.800 | 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)) | 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
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Similars
| | n/a | n/a | 0.810 | 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)) | BDBM50247128
((6,6-dimethyl-5,6-dihydroimidazo[2,1-b][1,3]thiazo...)Show SMILES CC1(C)CN2C(CS\C(NC3CCCCC3)=N/C3CCCCC3)=CSC2=N1 |c:24,28| Show InChI InChI=1S/C21H34N4S2/c1-21(2)15-25-18(14-27-20(25)24-21)13-26-19(22-16-9-5-3-6-10-16)23-17-11-7-4-8-12-17/h14,16-17H,3-13,15H2,1-2H3,(H,22,23) | PDB
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Similars
| PDB
| n/a | n/a | 1.10 | 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 | 
3D Structure (crystal) |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50615207
(CHEMBL5267875)Show SMILES CCCC[C@H]1C[C@H](CC[C@H]1NC(=O)CNC(=O)c1cccc(c1)C(F)(F)F)N(C)C(C)C |r| | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.5 | 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-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50208999
((R)-1-(2-(2-(4-(4-fluorobenzyl)-2-methylpiperazin-...)Show SMILES C[C@@H]1CN(Cc2ccc(F)cc2)CCN1C(=O)COc1ccc(Cl)cc1NC(N)=O |r| Show InChI InChI=1S/C21H24ClFN4O3/c1-14-11-26(12-15-2-5-17(23)6-3-15)8-9-27(14)20(28)13-30-19-7-4-16(22)10-18(19)25-21(24)29/h2-7,10,14H,8-9,11-13H2,1H3,(H3,24,25,29)/t14-/m1/s1 | PDB
Reactome pathway
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| | n/a | n/a | 10 | 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)) | BDBM50615209
(CHEMBL5275177) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 300 | 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-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50434066
(CHEMBL2381331)Show InChI InChI=1S/C21H27NO4/c1-14-4-3-9-22(11-14)12-15(23)13-25-16-7-8-18-17-5-2-6-19(17)21(24)26-20(18)10-16/h7-8,10,14-15,23H,2-6,9,11-13H2,1H3 | PDB
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PC cid
PC sid
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Similars
| | n/a | n/a | 1.30E+3 | 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-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50434064
(CHEMBL2381332)Show SMILES COc1ccccc1C(CNC(=O)c1cc(on1)-c1ccc(Br)cc1)N1CCC(C)CC1 Show InChI InChI=1S/C25H28BrN3O3/c1-17-11-13-29(14-12-17)22(20-5-3-4-6-23(20)31-2)16-27-25(30)21-15-24(32-28-21)18-7-9-19(26)10-8-18/h3-10,15,17,22H,11-14,16H2,1-2H3,(H,27,30) | PDB
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PC cid
PC sid
UniChem
| | n/a | n/a | 1.90E+3 | 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-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50615212
(CHEMBL5269098)Show SMILES Clc1ccc2c(ccnc2c1)N1CCN(CC1)C(=O)CCC(=O)N1CCN(CC1)c1ccnc2cc(Cl)ccc12 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 2.00E+3 | 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-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50615206
(CHEMBL5268295)Show SMILES OC1=C(C(N(C1=O)c1nnc(SCc2ccc(Cl)cc2)s1)c1cccs1)C(=O)c1cc2ccccc2o1 |t:1| | PDB
KEGG
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| PC cid
PC sid
UniChem
| | n/a | n/a | 2.00E+3 | 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-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50434054
(CHEMBL2381216)Show SMILES CN(C)c1ccc(\C=C2/SC(=NC2=O)N2CCN(CCO)CC2)cc1 |c:10| Show InChI InChI=1S/C18H24N4O2S/c1-20(2)15-5-3-14(4-6-15)13-16-17(24)19-18(25-16)22-9-7-21(8-10-22)11-12-23/h3-6,13,23H,7-12H2,1-2H3/b16-13- | PDB
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| | n/a | n/a | 5.40E+3 | 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)) | BDBM50615211
(CHEMBL5288598) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | n/a | n/a | 1.39E+4 | 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)) | BDBM50615210
(CHEMBL5288597)Show SMILES Cc1c[nH]c(CN2CCC(CC2)N2CCCC(C2)C(=O)NC2CC2)n1 | PDB
UniProtKB/SwissProt
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| PC cid
PC sid
UniChem
| | n/a | n/a | 2.51E+4 | 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 3
(Homo sapiens (Human)) | BDBM50088301
((E)-N,N-dimethyl-N-(4-(2-p-tolyl-6,7-dihydro-5H-be...)Show SMILES Cc1ccc(cc1)-c1ccc2CCCC(=Cc2c1)C(=O)Nc1ccc(C[N+](C)(C)C2CCOCC2)cc1 |c:15| Show InChI InChI=1S/C33H38N2O2/c1-24-7-11-27(12-8-24)28-14-13-26-5-4-6-29(22-30(26)21-28)33(36)34-31-15-9-25(10-16-31)23-35(2,3)32-17-19-37-20-18-32/h7-16,21-22,32H,4-6,17-20,23H2,1-3H3/p+1 | PDB
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PC cid
PC sid
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Similars
| | n/a | n/a | 3.13E+4 | 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)) | BDBM50155311
(CHEMBL3781301)Show SMILES Oc1cccc(CN(CCN2CCCCC2)CC2CCCN(C2)C2CCCC2)c1 Show InChI InChI=1S/C20H25N3O2S/c21-17(13-7-2-1-3-8-13)20(25)23-12-6-10-15(23)18(24)19-22-14-9-4-5-11-16(14)26-19/h4-5,9,11,13,15,17H,1-3,6-8,10,12,21H2/t15-,17+/m0/s1 | PDB
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| | n/a | n/a | 9.20E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50615208
(CHEMBL1195981)Show SMILES [#6]-c1ccc(cc1)-c1nc2-[#16]-[#6]-[#6]-n2c1\[#6]=[#7]\[#7]=[#6](/[#7])-[#7] | PDB
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UniChem
| | n/a | n/a | 2.25E+5 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
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