Found 15 hits Enz. Inhib. hit(s) with all data for entry = 50031470 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-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50310739
((S)-5-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbony...)Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C31H49N5O4/c1-5-6-7-26-21-35(20-25-8-18-39-19-9-25)29(38)40-31(26)12-16-36(17-13-31)30(4)10-14-34(15-11-30)28(37)27-23(2)32-22-33-24(27)3/h22,25-26H,5-21H2,1-4H3/t26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313879
((5S)-5-butyl-9-((3aR,6aS)-2-(4,6-dimethylpyrimidin...)Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C32H49N5O4/c1-4-5-6-27-20-37(17-24-7-13-40-14-8-24)31(39)41-32(27)9-11-35(12-10-32)28-15-25-18-36(19-26(25)16-28)30(38)29-22(2)33-21-34-23(29)3/h21,24-28H,4-20H2,1-3H3/t25-,26+,27-,28?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 14 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313880
(5-((3aR,6aS)-5-((S)-5-butyl-2-oxo-3-((tetrahydro-2...)Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N |r| Show InChI InChI=1S/C34H49N5O4/c1-4-5-6-28-22-39(19-25-7-13-42-14-8-25)33(41)43-34(28)9-11-37(12-10-34)30-16-26-20-38(21-27(26)17-30)32(40)31-23(2)15-29(18-35)36-24(31)3/h15,25-28,30H,4-14,16-17,19-22H2,1-3H3/t26-,27+,28-,30?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313885
(CHEMBL1077364 | trans-(5S)-5-butyl-9-((3aR,6aS)-2-...)Show SMILES CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OC(C)C)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C |r,wU:8.7,wD:29.32,33.35,4.3,11.14,(.35,-43.61,;-1.19,-43.62,;-1.96,-44.95,;-3.5,-44.96,;-4.26,-46.29,;-5.8,-46.3,;-6.57,-47.64,;-8.11,-47.64,;-8.89,-46.31,;-10.43,-46.32,;-11.2,-44.98,;-10.43,-43.64,;-8.89,-43.65,;-8.12,-44.98,;-11.19,-42.31,;-10.42,-40.98,;-8.88,-40.98,;-11.19,-39.64,;-5.8,-48.98,;-6.56,-50.31,;-4.25,-48.97,;-3.48,-47.63,;-2.7,-46.31,;-1.17,-46.32,;-.4,-47.66,;-1.18,-48.99,;-2.72,-48.98,;1.14,-47.67,;2.05,-48.91,;3.51,-48.45,;4.97,-48.93,;5.89,-47.69,;4.99,-46.44,;3.52,-46.91,;2.06,-46.42,;7.43,-47.7,;8.2,-46.37,;8.19,-49.04,;7.41,-50.36,;5.87,-50.35,;8.17,-51.7,;9.71,-51.71,;10.49,-50.37,;9.72,-49.04,;10.5,-47.7,)| Show InChI InChI=1S/C36H57N5O4/c1-6-7-8-30-22-41(19-27-9-11-32(12-10-27)44-24(2)3)35(43)45-36(30)13-15-39(16-14-36)31-17-28-20-40(21-29(28)18-31)34(42)33-25(4)37-23-38-26(33)5/h23-24,27-32H,6-22H2,1-5H3/t27-,28-,29+,30-,31?,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 23 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313881
((5S)-5-butyl-9-((3aR,6aS)-2-(4,6-dimethylpyrimidin...)Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(C)ncnc1C |r| Show InChI InChI=1S/C33H51N5O4/c1-5-6-7-28-21-37(18-25-8-14-41-15-9-25)31(40)42-33(28)10-12-38(13-11-33)32(4)16-26-19-36(20-27(26)17-32)30(39)29-23(2)34-22-35-24(29)3/h22,25-28H,5-21H2,1-4H3/t26-,27+,28-,32?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 25 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313886
(CHEMBL1077365 | trans-(5S)-5-butyl-3-((4-cycloprop...)Show SMILES CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OC2CC2)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C |r,wU:8.7,wD:29.33,33.36,4.3,11.14,(22.73,-44.79,;21.19,-44.79,;20.43,-46.13,;18.89,-46.13,;18.12,-47.47,;16.58,-47.47,;15.81,-48.81,;14.27,-48.81,;13.5,-47.48,;11.95,-47.49,;11.18,-46.15,;11.96,-44.82,;13.5,-44.82,;14.26,-46.15,;11.19,-43.48,;11.96,-42.15,;13.3,-41.38,;11.96,-40.61,;16.59,-50.15,;15.82,-51.48,;18.14,-50.15,;18.9,-48.81,;19.68,-47.49,;21.22,-47.5,;21.99,-48.83,;21.21,-50.17,;19.66,-50.15,;23.53,-48.84,;24.43,-50.09,;25.9,-49.62,;27.36,-50.11,;28.27,-48.87,;27.37,-47.62,;25.9,-48.08,;24.44,-47.6,;29.81,-48.87,;30.59,-47.54,;30.57,-50.21,;29.79,-51.54,;28.25,-51.53,;30.56,-52.87,;32.1,-52.88,;32.87,-51.54,;32.11,-50.21,;32.88,-48.88,)| Show InChI InChI=1S/C36H55N5O4/c1-4-5-6-29-22-41(19-26-7-9-31(10-8-26)44-32-11-12-32)35(43)45-36(29)13-15-39(16-14-36)30-17-27-20-40(21-28(27)18-30)34(42)33-24(2)37-23-38-25(33)3/h23,26-32H,4-22H2,1-3H3/t26-,27-,28+,29-,30?,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313884
(CHEMBL1077363 | trans-(5S)-5-butyl-9-((3aR,6aS)-2-...)Show SMILES CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OCC)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ccnc1C |r,wU:8.7,wD:28.31,32.34,4.3,11.14,(6,-35.54,;4.46,-35.54,;3.69,-36.88,;2.15,-36.88,;1.38,-38.22,;-.15,-38.22,;-.93,-39.56,;-2.47,-39.57,;-3.24,-38.23,;-4.78,-38.24,;-5.55,-36.9,;-4.78,-35.57,;-3.24,-35.57,;-2.47,-36.9,;-5.55,-34.23,;-4.78,-32.9,;-5.54,-31.57,;-.15,-40.9,;-.92,-42.24,;1.4,-40.9,;2.16,-39.56,;2.95,-38.24,;4.48,-38.25,;5.25,-39.59,;4.47,-40.92,;2.93,-40.91,;6.79,-39.59,;7.69,-40.84,;9.16,-40.38,;10.62,-40.86,;11.53,-39.62,;10.63,-38.37,;9.17,-38.84,;7.71,-38.35,;13.07,-39.63,;13.85,-38.3,;13.84,-40.96,;13.06,-42.29,;11.52,-42.28,;13.82,-43.62,;15.36,-43.63,;16.14,-42.3,;15.37,-40.96,;16.14,-39.63,)| Show InChI InChI=1S/C36H56N4O4/c1-5-7-8-30-24-40(21-27-9-11-32(12-10-27)43-6-2)35(42)44-36(30)14-17-38(18-15-36)31-19-28-22-39(23-29(28)20-31)34(41)33-25(3)13-16-37-26(33)4/h13,16,27-32H,5-12,14-15,17-24H2,1-4H3/t27-,28-,29+,30-,31?,32-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 34 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313883
(CHEMBL1077362 | trans-(5S)-5-butyl-9-((3aR,6aS)-2-...)Show SMILES CCCC[C@H]1CN(C[C@H]2CC[C@@H](CC2)OCC)C(=O)OC11CCN(CC1)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C |r,wU:8.7,wD:28.31,32.34,4.3,11.14,(1.09,-33.27,;-.45,-33.27,;-1.22,-34.61,;-2.76,-34.61,;-3.52,-35.95,;-5.06,-35.95,;-5.84,-37.29,;-7.38,-37.3,;-8.15,-35.96,;-9.69,-35.97,;-10.46,-34.63,;-9.69,-33.3,;-8.15,-33.3,;-7.38,-34.63,;-10.46,-31.96,;-9.68,-30.63,;-10.45,-29.3,;-5.06,-38.63,;-5.82,-39.97,;-3.51,-38.63,;-2.75,-37.29,;-1.96,-35.97,;-.43,-35.98,;.34,-37.32,;-.44,-38.65,;-1.98,-38.63,;1.88,-37.32,;2.78,-38.57,;4.25,-38.1,;5.71,-38.59,;6.62,-37.35,;5.73,-36.1,;4.26,-36.56,;2.8,-36.08,;8.16,-37.36,;8.94,-36.03,;8.93,-38.69,;8.15,-40.02,;6.61,-40.01,;8.91,-41.35,;10.45,-41.36,;11.23,-40.02,;10.46,-38.69,;11.23,-37.36,)| Show InChI InChI=1S/C35H55N5O4/c1-5-7-8-29-22-40(19-26-9-11-31(12-10-26)43-6-2)34(42)44-35(29)13-15-38(16-14-35)30-17-27-20-39(21-28(27)18-30)33(41)32-24(3)36-23-37-25(32)4/h23,26-31H,5-22H2,1-4H3/t26-,27-,28+,29-,30?,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 44 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313878
(5-((3aR,6aS)-5-((S)-4-((1S,2S)-2-ethoxy-5-(trifluo...)Show SMILES CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N)C(F)(F)F |r| Show InChI InChI=1S/C33H40F3N5O2/c1-5-43-29-14-22-11-25(33(34,35)36)6-7-28(22)31(29)41-9-8-39(16-20(41)3)27-12-23-17-40(18-24(23)13-27)32(42)30-19(2)10-26(15-37)38-21(30)4/h6-7,10-11,20,23-24,27,29,31H,5,8-9,12-14,16-18H2,1-4H3/t20-,23-,24+,27?,29-,31-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 45 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313882
(5-((3aR,6aS)-5-((S)-5-butyl-2-oxo-3-((tetrahydro-2...)Show SMILES CCCC[C@H]1CN(CC2CCOCC2)C(=O)OC11CCN(CC1)C1(C)C[C@@H]2CN(C[C@@H]2C1)C(=O)c1c(C)cc(nc1C)C#N |r| Show InChI InChI=1S/C35H51N5O4/c1-5-6-7-29-23-39(20-26-8-14-43-15-9-26)33(42)44-35(29)10-12-40(13-11-35)34(4)17-27-21-38(22-28(27)18-34)32(41)31-24(2)16-30(19-36)37-25(31)3/h16,26-29H,5-15,17-18,20-23H2,1-4H3/t27-,28+,29-,34?/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313876
((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-((S)-4-((...)Show SMILES CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)C(F)(F)F |r| Show InChI InChI=1S/C31H40F3N5O2/c1-5-41-27-13-21-10-24(31(32,33)34)6-7-26(21)29(27)39-9-8-37(14-18(39)2)25-11-22-15-38(16-23(22)12-25)30(40)28-19(3)35-17-36-20(28)4/h6-7,10,17-18,22-23,25,27,29H,5,8-9,11-16H2,1-4H3/t18-,22-,23+,25?,27-,29-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 92 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313877
((2,4-dimethylpyridin-3-yl)((3aR,6aS)-5-((S)-4-((1S...)Show SMILES CCO[C@H]1Cc2cc(ccc2[C@@H]1N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ccnc1C)C(F)(F)F |r| Show InChI InChI=1S/C32H41F3N4O2/c1-5-41-28-15-22-12-25(32(33,34)35)6-7-27(22)30(28)39-11-10-37(16-20(39)3)26-13-23-17-38(18-24(23)14-26)31(40)29-19(2)8-9-36-21(29)4/h6-9,12,20,23-24,26,28,30H,5,10-11,13-18H2,1-4H3/t20-,23-,24+,26?,28-,30-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 98 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313873
((4,6-dimethylpyrimidin-5-yl)((3aR,6aS)-5-((S)-4-((...)Show SMILES COC[C@H](N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ncnc1C)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C29H38F3N5O2/c1-18-13-35(9-10-37(18)26(16-39-4)21-5-7-24(8-6-21)29(30,31)32)25-11-22-14-36(15-23(22)12-25)28(38)27-19(2)33-17-34-20(27)3/h5-8,17-18,22-23,25-26H,9-16H2,1-4H3/t18-,22-,23+,25?,26-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313874
((2,4-dimethylpyridin-3-yl)((3aR,6aS)-5-((S)-4-((R)...)Show SMILES COC[C@H](N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)ccnc1C)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C30H39F3N4O2/c1-19-9-10-34-21(3)28(19)29(38)36-16-23-13-26(14-24(23)17-36)35-11-12-37(20(2)15-35)27(18-39-4)22-5-7-25(8-6-22)30(31,32)33/h5-10,20,23-24,26-27H,11-18H2,1-4H3/t20-,23-,24+,26?,27-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50313875
(5-((3aR,6aS)-5-((S)-4-((R)-2-methoxy-1-(4-(trifluo...)Show SMILES COC[C@H](N1CCN(C[C@@H]1C)C1C[C@H]2CN(C[C@H]2C1)C(=O)c1c(C)cc(nc1C)C#N)c1ccc(cc1)C(F)(F)F |r| Show InChI InChI=1S/C31H38F3N5O2/c1-19-11-26(14-35)36-21(3)29(19)30(40)38-16-23-12-27(13-24(23)17-38)37-9-10-39(20(2)15-37)28(18-41-4)22-5-7-25(8-6-22)31(32,33)34/h5-8,11,20,23-24,27-28H,9-10,12-13,15-18H2,1-4H3/t20-,23-,24+,27?,28-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >500 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 receptor receptors expressed in CHO cells |
Bioorg Med Chem Lett 20: 1830-3 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.004
BindingDB Entry DOI: 10.7270/Q25Q4W7T |
More data for this
Ligand-Target Pair | |
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