Found 32 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-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254720
((4-(7-butyl-9-(morpholinosulfonyl)-3,9-diazaspiro[...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)N1CCOCC1 Show InChI InChI=1S/C30H50N6O4S/c1-5-6-7-26-22-36(41(38,39)35-18-20-40-21-19-35)17-12-30(26)10-15-34(16-11-30)29(4)8-13-33(14-9-29)28(37)27-24(2)31-23-32-25(27)3/h23,26H,5-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254677
((4-(7-butyl-9-(pyridin-2-ylsulfonyl)-3,9-diazaspir...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1ccccn1 Show InChI InChI=1S/C31H46N6O3S/c1-5-6-9-26-22-37(41(39,40)27-10-7-8-16-32-27)21-15-31(26)13-19-36(20-14-31)30(4)11-17-35(18-12-30)29(38)28-24(2)33-23-34-25(28)3/h7-8,10,16,23,26H,5-6,9,11-15,17-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254748
((R)-(4-(7-butyl-9-(2,2,2-trifluoroethylsulfonyl)-3...)Show SMILES CCCC[C@H]1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)CC(F)(F)F |r| Show InChI InChI=1S/C28H44F3N5O3S/c1-5-6-7-23-18-36(40(38,39)19-28(29,30)31)17-12-27(23)10-15-35(16-11-27)26(4)8-13-34(14-9-26)25(37)24-21(2)32-20-33-22(24)3/h20,23H,5-19H2,1-4H3/t23-/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 | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254675
((4-(7-butyl-9-(phenylsulfonyl)-3,9-diazaspiro[5.5]...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C32H47N5O3S/c1-5-6-10-27-23-37(41(39,40)28-11-8-7-9-12-28)22-17-32(27)15-20-36(21-16-32)31(4)13-18-35(19-14-31)30(38)29-25(2)33-24-34-26(29)3/h7-9,11-12,24,27H,5-6,10,13-23H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254752
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(Cc2ccc(F)cc2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C33H46FN5O2/c1-5-6-7-28-30(40)38(22-26-8-10-27(34)11-9-26)19-14-33(28)15-20-39(21-16-33)32(4)12-17-37(18-13-32)31(41)29-24(2)35-23-36-25(29)3/h8-11,23,28H,5-7,12-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 19 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254716
((4-(7-butyl-9-(cyclopropylsulfonyl)-3,9-diazaspiro...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CC1 Show InChI InChI=1S/C29H47N5O3S/c1-5-6-7-24-20-34(38(36,37)25-8-9-25)19-14-29(24)12-17-33(18-13-29)28(4)10-15-32(16-11-28)27(35)26-22(2)30-21-31-23(26)3/h21,24-25H,5-20H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254718
((4-(7-butyl-9-(tetrahydro-2H-pyran-4-ylsulfonyl)-3...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCOCC1 Show InChI InChI=1S/C31H51N5O4S/c1-5-6-7-26-22-36(41(38,39)27-8-20-40-21-9-27)19-14-31(26)12-17-35(18-13-31)30(4)10-15-34(16-11-30)29(37)28-24(2)32-23-33-25(28)3/h23,26-27H,5-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 22 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254715
((4-(7-butyl-9-(methylsulfonyl)-3,9-diazaspiro[5.5]...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(C)(=O)=O Show InChI InChI=1S/C27H45N5O3S/c1-6-7-8-23-19-32(36(5,34)35)18-13-27(23)11-16-31(17-12-27)26(4)9-14-30(15-10-26)25(33)24-21(2)28-20-29-22(24)3/h20,23H,6-19H2,1-5H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254719
((4-(7-butyl-9-(1-methyl-1H-imidazol-4-ylsulfonyl)-...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)c1cn(C)cn1 Show InChI InChI=1S/C30H47N7O3S/c1-6-7-8-25-19-37(41(39,40)26-20-34(5)22-33-26)18-13-30(25)11-16-36(17-12-30)29(4)9-14-35(15-10-29)28(38)27-23(2)31-21-32-24(27)3/h20-22,25H,6-19H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 27 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254751
(7-butyl-3-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)C(CC2CCOCC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C33H52N4O3/c1-5-6-7-28-30(38)27(22-26-9-20-40-21-10-26)8-11-33(28)14-18-37(19-15-33)32(4)12-16-36(17-13-32)31(39)29-24(2)34-23-35-25(29)3/h23,26-28H,5-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254750
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(3.6,-45.74,;2.83,-44.41,;3.61,-43.08,;2.84,-41.74,;3.62,-40.41,;5.14,-40.41,;5.91,-41.75,;5.92,-39.09,;7.46,-39.1,;8.22,-40.44,;7.44,-41.76,;8.19,-43.09,;9.73,-43.11,;10.51,-41.78,;9.75,-40.43,;10.49,-44.45,;9.71,-45.78,;10.47,-47.12,;5.15,-37.76,;3.62,-37.75,;2.85,-39.08,;2.1,-37.74,;.56,-37.74,;-.22,-39.07,;.54,-40.4,;2.08,-40.42,;-1.76,-39.06,;-1.37,-37.56,;-2.52,-37.72,;-4.05,-37.71,;-4.84,-39.03,;-4.08,-40.38,;-2.53,-40.39,;-6.38,-39.02,;-7.14,-37.68,;-7.16,-40.35,;-6.39,-41.67,;-4.85,-41.68,;-7.16,-43,;-8.71,-43,;-9.47,-41.66,;-8.69,-40.33,;-9.45,-38.99,)| Show InChI InChI=1S/C35H57N5O3/c1-6-8-9-30-32(41)39(24-28-10-12-29(13-11-28)43-7-2)21-16-35(30)17-22-40(23-18-35)34(5)14-19-38(20-15-34)33(42)31-26(3)36-25-37-27(31)4/h25,28-30H,6-24H2,1-5H3/t28-,29-,30? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254756
(5-(4-(7-butyl-9-((1-hydroxypiperidin-4-yl)methyl)-...)Show SMILES CCCCC1C(=O)N(CC2CCN(O)CC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N Show InChI InChI=1S/C34H52N6O3/c1-5-6-7-29-31(41)38(24-27-8-15-40(43)16-9-27)19-12-34(29)13-20-39(21-14-34)33(4)10-17-37(18-11-33)32(42)30-25(2)22-28(23-35)36-26(30)3/h22,27,29,43H,5-21,24H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 31 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254676
((R)-1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbony...)Show SMILES CCCC[C@H]1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(=O)NC |r| Show InChI InChI=1S/C28H46N6O2/c1-6-7-8-23-19-33(26(36)29-5)16-11-28(23)12-17-34(18-13-28)27(4)9-14-32(15-10-27)25(35)24-21(2)30-20-31-22(24)3/h20,23H,6-19H2,1-5H3,(H,29,36)/t23-/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 35 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254749
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(24.59,-46.62,;23.83,-45.29,;24.6,-43.96,;23.84,-42.62,;24.61,-41.29,;26.14,-41.29,;26.9,-42.63,;26.91,-39.97,;28.45,-39.98,;29.21,-41.32,;28.43,-42.64,;29.19,-43.97,;30.73,-43.99,;31.51,-42.66,;30.75,-41.31,;31.49,-45.33,;30.71,-46.65,;26.15,-38.64,;24.61,-38.63,;23.85,-39.96,;23.09,-38.62,;21.55,-38.62,;20.78,-39.95,;21.54,-41.28,;23.07,-41.29,;19.24,-39.94,;19.63,-38.44,;18.48,-38.6,;16.94,-38.59,;16.16,-39.91,;16.92,-41.26,;18.46,-41.27,;14.62,-39.9,;13.85,-38.56,;13.84,-41.22,;14.61,-42.55,;16.15,-42.55,;13.84,-43.88,;12.29,-43.88,;11.53,-42.54,;12.3,-41.21,;11.54,-39.87,)| Show InChI InChI=1S/C34H55N5O3/c1-6-7-8-29-31(40)38(23-27-9-11-28(42-5)12-10-27)20-15-34(29)16-21-39(22-17-34)33(4)13-18-37(19-14-33)32(41)30-25(2)35-24-36-26(30)3/h24,27-29H,6-23H2,1-5H3/t27-,28-,29? | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 37 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254717
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)N(C)C Show InChI InChI=1S/C28H48N6O3S/c1-7-8-9-24-20-34(38(36,37)31(5)6)19-14-28(24)12-17-33(18-13-28)27(4)10-15-32(16-11-27)26(35)25-22(2)29-21-30-23(25)3/h21,24H,7-20H2,1-6H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254754
(CHEMBL501383 | methyl 4-((1-butyl-9-(1-(4,6-dimeth...)Show SMILES CCCCC1C(=O)N(CC2CCN(CC2)C(=O)OC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C34H54N6O4/c1-6-7-8-28-30(41)39(23-27-9-16-38(17-10-27)32(43)44-5)20-13-34(28)14-21-40(22-15-34)33(4)11-18-37(19-12-33)31(42)29-25(2)35-24-36-26(29)3/h24,27-28H,6-23H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254722
(4-(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCN(CC1)C=O Show InChI InChI=1S/C32H52N6O4S/c1-5-6-7-27-22-38(43(41,42)28-8-15-35(24-39)16-9-28)21-14-32(27)12-19-37(20-13-32)31(4)10-17-36(18-11-31)30(40)29-25(2)33-23-34-26(29)3/h23-24,27-28H,5-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254755
(1-butyl-3-((1-(2,2-difluoroethyl)piperidin-4-yl)me...)Show SMILES CCCCC1C(=O)N(CC2CCN(CC(F)F)CC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C34H54F2N6O2/c1-5-6-7-28-31(43)41(22-27-8-15-39(16-9-27)23-29(35)36)19-12-34(28)13-20-42(21-14-34)33(4)10-17-40(18-11-33)32(44)30-25(2)37-24-38-26(30)3/h24,27-29H,5-23H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254753
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@H](O)CC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.12,wD:9.8,(3.84,-2.48,;3.07,-1.14,;3.85,.19,;3.08,1.52,;3.86,2.85,;5.38,2.85,;6.15,1.51,;6.16,4.17,;7.7,4.16,;8.46,2.83,;7.68,1.5,;8.43,.17,;9.97,.16,;10.73,-1.18,;10.75,1.49,;9.99,2.83,;5.39,5.5,;3.86,5.51,;3.1,4.18,;2.34,5.52,;.8,5.52,;.02,4.19,;.78,2.86,;2.32,2.85,;-1.52,4.2,;-1.13,5.7,;-2.28,5.54,;-3.81,5.56,;-4.6,4.23,;-3.83,2.89,;-2.29,2.87,;-6.13,4.24,;-6.9,5.59,;-6.91,2.92,;-6.15,1.59,;-4.61,1.59,;-6.92,.26,;-8.46,.26,;-9.23,1.6,;-8.45,2.93,;-9.21,4.27,)| Show InChI InChI=1S/C33H53N5O3/c1-5-6-7-28-30(40)37(22-26-8-10-27(39)11-9-26)19-14-33(28)15-20-38(21-16-33)32(4)12-17-36(18-13-32)31(41)29-24(2)34-23-35-25(29)3/h23,26-28,39H,5-22H2,1-4H3/t26-,27-,28? | PDB
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PC cid
PC sid
UniChem
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| Article
PubMed
| n/a | n/a | 76 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254721
(1-(4-(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbo...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CCN(CC1)C(C)=O Show InChI InChI=1S/C33H54N6O4S/c1-6-7-8-28-23-39(44(42,43)29-9-16-36(17-10-29)27(4)40)22-15-33(28)13-20-38(21-14-33)32(5)11-18-37(19-12-32)31(41)30-25(2)34-24-35-26(30)3/h24,28-29H,6-23H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 78 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254757
((4-(9-(cyclopropylsulfonyl)-7-propoxy-3,9-diazaspi...)Show SMILES CCCOC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)S(=O)(=O)C1CC1 Show InChI InChI=1S/C28H45N5O4S/c1-5-18-37-24-19-33(38(35,36)23-6-7-23)17-12-28(24)10-15-32(16-11-28)27(4)8-13-31(14-9-27)26(34)25-21(2)29-20-30-22(25)3/h20,23-24H,5-19H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 80 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254787
((4,6-dimethylpyrimidin-5-yl)(4-methyl-4-(9-(methyl...)Show SMILES Cc1ncnc(C)c1C(=O)N1CCC(C)(CC1)N1CCC2(CC1)CCN(CC2c1ccccc1)S(C)(=O)=O Show InChI InChI=1S/C29H41N5O3S/c1-22-26(23(2)31-21-30-22)27(35)32-15-10-28(3,11-16-32)33-17-12-29(13-18-33)14-19-34(38(4,36)37)20-25(29)24-8-6-5-7-9-24/h5-9,21,25H,10-20H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 104 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254672
(5-(4-(7-butyl-9-(tetrahydro-2H-pyran-4-carbonyl)-3...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc(nc1C)C#N)C(=O)C1CCOCC1 Show InChI InChI=1S/C34H51N5O3/c1-5-6-7-28-24-38(31(40)27-8-20-42-21-9-27)17-12-34(28)13-18-39(19-14-34)33(4)10-15-37(16-11-33)32(41)30-25(2)22-29(23-35)36-26(30)3/h22,27-28H,5-21,24H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
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DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 217 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254673
(CHEMBL499729 | tetrahydro-2H-pyran-4-yl 1-butyl-9-...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(=O)OC1CCOCC1 Show InChI InChI=1S/C32H51N5O4/c1-5-6-7-26-22-36(30(39)41-27-8-20-40-21-9-27)17-12-32(26)13-18-37(19-14-32)31(4)10-15-35(16-11-31)29(38)28-24(2)33-23-34-25(28)3/h23,26-27H,5-22H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 349 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254674
((4-(7-butyl-9-((tetrahydro-2H-pyran-4-yl)methyl)-3...)Show SMILES CCCCC1CN(CC2CCOCC2)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C Show InChI InChI=1S/C32H53N5O2/c1-5-6-7-28-23-35(22-27-8-20-39-21-9-27)15-12-32(28)13-18-37(19-14-32)31(4)10-16-36(17-11-31)30(38)29-25(2)33-24-34-26(29)3/h24,27-28H,5-23H2,1-4H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50254671
((1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-...)Show SMILES CCCCC1CN(CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C)C(=O)C1CCOCC1 Show InChI InChI=1S/C32H51N5O3/c1-5-6-7-27-22-36(29(38)26-8-20-40-21-9-26)17-12-32(27)13-18-37(19-14-32)31(4)10-15-35(16-11-31)30(39)28-24(2)33-23-34-25(28)3/h23,26-27H,5-22H2,1-4H3 | 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 LLC
Curated by ChEMBL
| Assay Description
Antagonist activity at CCR5 receptor (unknown origin) by radiolabelled RANTES binding assay |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 6
(Homo sapiens (Human)) | BDBM50254750
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(3.6,-45.74,;2.83,-44.41,;3.61,-43.08,;2.84,-41.74,;3.62,-40.41,;5.14,-40.41,;5.91,-41.75,;5.92,-39.09,;7.46,-39.1,;8.22,-40.44,;7.44,-41.76,;8.19,-43.09,;9.73,-43.11,;10.51,-41.78,;9.75,-40.43,;10.49,-44.45,;9.71,-45.78,;10.47,-47.12,;5.15,-37.76,;3.62,-37.75,;2.85,-39.08,;2.1,-37.74,;.56,-37.74,;-.22,-39.07,;.54,-40.4,;2.08,-40.42,;-1.76,-39.06,;-1.37,-37.56,;-2.52,-37.72,;-4.05,-37.71,;-4.84,-39.03,;-4.08,-40.38,;-2.53,-40.39,;-6.38,-39.02,;-7.14,-37.68,;-7.16,-40.35,;-6.39,-41.67,;-4.85,-41.68,;-7.16,-43,;-8.71,-43,;-9.47,-41.66,;-8.69,-40.33,;-9.45,-38.99,)| Show InChI InChI=1S/C35H57N5O3/c1-6-8-9-30-32(41)39(24-28-10-12-29(13-11-28)43-7-2)21-16-35(30)17-22-40(23-18-35)34(5)14-19-38(20-15-34)33(42)31-26(3)36-25-37-27(31)4/h25,28-30H,6-24H2,1-5H3/t28-,29-,30? | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of CCR6 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 3
(Homo sapiens (Human)) | BDBM50254750
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(3.6,-45.74,;2.83,-44.41,;3.61,-43.08,;2.84,-41.74,;3.62,-40.41,;5.14,-40.41,;5.91,-41.75,;5.92,-39.09,;7.46,-39.1,;8.22,-40.44,;7.44,-41.76,;8.19,-43.09,;9.73,-43.11,;10.51,-41.78,;9.75,-40.43,;10.49,-44.45,;9.71,-45.78,;10.47,-47.12,;5.15,-37.76,;3.62,-37.75,;2.85,-39.08,;2.1,-37.74,;.56,-37.74,;-.22,-39.07,;.54,-40.4,;2.08,-40.42,;-1.76,-39.06,;-1.37,-37.56,;-2.52,-37.72,;-4.05,-37.71,;-4.84,-39.03,;-4.08,-40.38,;-2.53,-40.39,;-6.38,-39.02,;-7.14,-37.68,;-7.16,-40.35,;-6.39,-41.67,;-4.85,-41.68,;-7.16,-43,;-8.71,-43,;-9.47,-41.66,;-8.69,-40.33,;-9.45,-38.99,)| Show InChI InChI=1S/C35H57N5O3/c1-6-8-9-30-32(41)39(24-28-10-12-29(13-11-28)43-7-2)21-16-35(30)17-22-40(23-18-35)34(5)14-19-38(20-15-34)33(42)31-26(3)36-25-37-27(31)4/h25,28-30H,6-24H2,1-5H3/t28-,29-,30? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of CCR3 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 2
(Homo sapiens (Human)) | BDBM50254750
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(3.6,-45.74,;2.83,-44.41,;3.61,-43.08,;2.84,-41.74,;3.62,-40.41,;5.14,-40.41,;5.91,-41.75,;5.92,-39.09,;7.46,-39.1,;8.22,-40.44,;7.44,-41.76,;8.19,-43.09,;9.73,-43.11,;10.51,-41.78,;9.75,-40.43,;10.49,-44.45,;9.71,-45.78,;10.47,-47.12,;5.15,-37.76,;3.62,-37.75,;2.85,-39.08,;2.1,-37.74,;.56,-37.74,;-.22,-39.07,;.54,-40.4,;2.08,-40.42,;-1.76,-39.06,;-1.37,-37.56,;-2.52,-37.72,;-4.05,-37.71,;-4.84,-39.03,;-4.08,-40.38,;-2.53,-40.39,;-6.38,-39.02,;-7.14,-37.68,;-7.16,-40.35,;-6.39,-41.67,;-4.85,-41.68,;-7.16,-43,;-8.71,-43,;-9.47,-41.66,;-8.69,-40.33,;-9.45,-38.99,)| Show InChI InChI=1S/C35H57N5O3/c1-6-8-9-30-32(41)39(24-28-10-12-29(13-11-28)43-7-2)21-16-35(30)17-22-40(23-18-35)34(5)14-19-38(20-15-34)33(42)31-26(3)36-25-37-27(31)4/h25,28-30H,6-24H2,1-5H3/t28-,29-,30? | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of CCR2 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50254750
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(3.6,-45.74,;2.83,-44.41,;3.61,-43.08,;2.84,-41.74,;3.62,-40.41,;5.14,-40.41,;5.91,-41.75,;5.92,-39.09,;7.46,-39.1,;8.22,-40.44,;7.44,-41.76,;8.19,-43.09,;9.73,-43.11,;10.51,-41.78,;9.75,-40.43,;10.49,-44.45,;9.71,-45.78,;10.47,-47.12,;5.15,-37.76,;3.62,-37.75,;2.85,-39.08,;2.1,-37.74,;.56,-37.74,;-.22,-39.07,;.54,-40.4,;2.08,-40.42,;-1.76,-39.06,;-1.37,-37.56,;-2.52,-37.72,;-4.05,-37.71,;-4.84,-39.03,;-4.08,-40.38,;-2.53,-40.39,;-6.38,-39.02,;-7.14,-37.68,;-7.16,-40.35,;-6.39,-41.67,;-4.85,-41.68,;-7.16,-43,;-8.71,-43,;-9.47,-41.66,;-8.69,-40.33,;-9.45,-38.99,)| Show InChI InChI=1S/C35H57N5O3/c1-6-8-9-30-32(41)39(24-28-10-12-29(13-11-28)43-7-2)21-16-35(30)17-22-40(23-18-35)34(5)14-19-38(20-15-34)33(42)31-26(3)36-25-37-27(31)4/h25,28-30H,6-24H2,1-5H3/t28-,29-,30? | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of CCR4 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-X-C chemokine receptor type 4
(Homo sapiens (Human)) | BDBM50254750
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(3.6,-45.74,;2.83,-44.41,;3.61,-43.08,;2.84,-41.74,;3.62,-40.41,;5.14,-40.41,;5.91,-41.75,;5.92,-39.09,;7.46,-39.1,;8.22,-40.44,;7.44,-41.76,;8.19,-43.09,;9.73,-43.11,;10.51,-41.78,;9.75,-40.43,;10.49,-44.45,;9.71,-45.78,;10.47,-47.12,;5.15,-37.76,;3.62,-37.75,;2.85,-39.08,;2.1,-37.74,;.56,-37.74,;-.22,-39.07,;.54,-40.4,;2.08,-40.42,;-1.76,-39.06,;-1.37,-37.56,;-2.52,-37.72,;-4.05,-37.71,;-4.84,-39.03,;-4.08,-40.38,;-2.53,-40.39,;-6.38,-39.02,;-7.14,-37.68,;-7.16,-40.35,;-6.39,-41.67,;-4.85,-41.68,;-7.16,-43,;-8.71,-43,;-9.47,-41.66,;-8.69,-40.33,;-9.45,-38.99,)| Show InChI InChI=1S/C35H57N5O3/c1-6-8-9-30-32(41)39(24-28-10-12-29(13-11-28)43-7-2)21-16-35(30)17-22-40(23-18-35)34(5)14-19-38(20-15-34)33(42)31-26(3)36-25-37-27(31)4/h25,28-30H,6-24H2,1-5H3/t28-,29-,30? | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of CXCR4 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 1
(Homo sapiens (Human)) | BDBM50254750
(1-butyl-9-(1-(4,6-dimethylpyrimidine-5-carbonyl)-4...)Show SMILES CCCCC1C(=O)N(C[C@H]2CC[C@@H](CC2)OCC)CCC11CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)ncnc1C |r,wU:12.15,wD:9.8,(3.6,-45.74,;2.83,-44.41,;3.61,-43.08,;2.84,-41.74,;3.62,-40.41,;5.14,-40.41,;5.91,-41.75,;5.92,-39.09,;7.46,-39.1,;8.22,-40.44,;7.44,-41.76,;8.19,-43.09,;9.73,-43.11,;10.51,-41.78,;9.75,-40.43,;10.49,-44.45,;9.71,-45.78,;10.47,-47.12,;5.15,-37.76,;3.62,-37.75,;2.85,-39.08,;2.1,-37.74,;.56,-37.74,;-.22,-39.07,;.54,-40.4,;2.08,-40.42,;-1.76,-39.06,;-1.37,-37.56,;-2.52,-37.72,;-4.05,-37.71,;-4.84,-39.03,;-4.08,-40.38,;-2.53,-40.39,;-6.38,-39.02,;-7.14,-37.68,;-7.16,-40.35,;-6.39,-41.67,;-4.85,-41.68,;-7.16,-43,;-8.71,-43,;-9.47,-41.66,;-8.69,-40.33,;-9.45,-38.99,)| Show InChI InChI=1S/C35H57N5O3/c1-6-8-9-30-32(41)39(24-28-10-12-29(13-11-28)43-7-2)21-16-35(30)17-22-40(23-18-35)34(5)14-19-38(20-15-34)33(42)31-26(3)36-25-37-27(31)4/h25,28-30H,6-24H2,1-5H3/t28-,29-,30? | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | >5.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Roche Palo Alto LLC
Curated by ChEMBL
| Assay Description
Inhibition of CCR1 receptor (unknown origin) |
Bioorg Med Chem Lett 19: 209-13 (2008)
Article DOI: 10.1016/j.bmcl.2008.10.115
BindingDB Entry DOI: 10.7270/Q2FQ9WGB |
More data for this
Ligand-Target Pair | |
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