Found 174 hits with Last Name = 'labrecque' and Initial = 'j' 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)) | BDBM50339989
(3,5-dichloro-N-(3-(4-((6-chloropyridin-2-yloxy)(4-...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(Cl)n1)c1ccc(cc1)S(C)(=O)=O Show InChI InChI=1S/C28H31Cl3N4O4S/c1-18(10-13-33-28(36)26-22(29)16-32-17-23(26)30)35-14-11-20(12-15-35)27(39-25-5-3-4-24(31)34-25)19-6-8-21(9-7-19)40(2,37)38/h3-9,16-18,20,27H,10-15H2,1-2H3,(H,33,36) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339987
(3,5-dichloro-N-(3-(4-((6-chloropyridin-2-yloxy)(4-...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(Cl)n1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H28Cl3F3N4O2/c1-17(9-12-36-27(39)25-21(29)15-35-16-22(25)30)38-13-10-19(11-14-38)26(40-24-4-2-3-23(31)37-24)18-5-7-20(8-6-18)28(32,33)34/h2-8,15-17,19,26H,9-14H2,1H3,(H,36,39) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 20 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379718
(CHEMBL2011127)Show SMILES CC(C)N1Cc2c(nc(nc2N(C)Cc2cc3ccccc3cn2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C26H31N7O2/c1-17(2)33-16-22-23(25(33)35)28-26(32-11-9-31(10-12-32)18(3)34)29-24(22)30(4)15-21-13-19-7-5-6-8-20(19)14-27-21/h5-8,13-14,17H,9-12,15-16H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
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 |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379717
(CHEMBL2011126)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2cc3ccccc3cn2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-21-22(24(32)34)28-25(31-10-8-30(9-11-31)17(3)33)29-23(21)27-14-20-12-18-6-4-5-7-19(18)13-26-20/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379716
(CHEMBL2011125)Show SMILES CC(C)N1Cc2c(nc(nc2NCc2cnc3ccccc3c2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H29N7O2/c1-16(2)32-15-20-22(24(32)34)28-25(31-10-8-30(9-11-31)17(3)33)29-23(20)27-14-18-12-19-6-4-5-7-21(19)26-13-18/h4-7,12-13,16H,8-11,14-15H2,1-3H3,(H,27,28,29) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 24 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339969
(3,5-dichloro-N-(3-(4-(2-(4-(trifluoromethyl)phenyl...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C1(Oc2ccccc2O1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H28Cl2F3N3O3/c1-18(10-13-36-27(38)26-22(30)16-35-17-23(26)31)37-14-11-20(12-15-37)28(39-24-4-2-3-5-25(24)40-28)19-6-8-21(9-7-19)29(32,33)34/h2-9,16-18,20H,10-15H2,1H3,(H,36,38) | 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 |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339967
(CHEMBL1762313 | N-(3-(4-(benzyl(4-bromophenyl)amin...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)N(Cc1ccccc1)c1ccc(Br)cc1 Show InChI InChI=1S/C28H31BrCl2N4O/c1-20(11-14-33-28(36)27-25(30)17-32-18-26(27)31)34-15-12-24(13-16-34)35(19-21-5-3-2-4-6-21)23-9-7-22(29)8-10-23/h2-10,17-18,20,24H,11-16,19H2,1H3,(H,33,36) | 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 |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339988
(3,5-dichloro-N-(3-(4-((6-chloropyridin-2-yloxy)(4-...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(Cl)n1)c1ccc(OC(F)(F)F)cc1 Show InChI InChI=1S/C28H28Cl3F3N4O3/c1-17(9-12-36-27(39)25-21(29)15-35-16-22(25)30)38-13-10-19(11-14-38)26(40-24-4-2-3-23(31)37-24)18-5-7-20(8-6-18)41-28(32,33)34/h2-8,15-17,19,26H,9-14H2,1H3,(H,36,39) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339990
(3,5-dichloro-N-(3-(4-((pyridin-2-yloxy)(4-(trifluo...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccn1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H29Cl2F3N4O2/c1-18(9-13-36-27(38)25-22(29)16-34-17-23(25)30)37-14-10-20(11-15-37)26(39-24-4-2-3-12-35-24)19-5-7-21(8-6-19)28(31,32)33/h2-8,12,16-18,20,26H,9-11,13-15H2,1H3,(H,36,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 30 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379714
(CHEMBL2011123)Show SMILES CCOc1ccc(cc1F)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C25H33FN6O3/c1-6-35-21-8-7-18(13-20(21)26)16(4)27-23-19-14-32(15(2)3)24(34)22(19)28-25(29-23)31-11-9-30(10-12-31)17(5)33/h7-8,13,15-16H,6,9-12,14H2,1-5H3,(H,27,28,29)/t16-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 38 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339975
(3,5-dichloro-N-(3-(4-((3-fluorophenoxy)(4-(trifluo...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(F)c1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H29Cl2F4N3O2/c1-18(9-12-37-28(39)26-24(30)16-36-17-25(26)31)38-13-10-20(11-14-38)27(40-23-4-2-3-22(32)15-23)19-5-7-21(8-6-19)29(33,34)35/h2-8,15-18,20,27H,9-14H2,1H3,(H,37,39) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339992
(3,5-dichloro-N-(3-(4-((6-cyanopyridin-2-yloxy)(4-(...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(n1)C#N)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H28Cl2F3N5O2/c1-18(9-12-37-28(40)26-23(30)16-36-17-24(26)31)39-13-10-20(11-14-39)27(41-25-4-2-3-22(15-35)38-25)19-5-7-21(8-6-19)29(32,33)34/h2-8,16-18,20,27H,9-14H2,1H3,(H,37,40) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104931
((4-{(4-Bromo-phenyl)-[(E)-ethoxyimino]-methyl}-4''...)Show SMILES CCO[N-][C+](C1CCN(CC1)C1(C)CCN(CC1)C(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H37BrN4O3/c1-5-36-30-26(22-6-8-24(29)9-7-22)23-11-15-32(16-12-23)28(4)13-18-31(19-14-28)27(34)25-20(2)10-17-33(35)21(25)3/h6-10,17,23H,5,11-16,18-19H2,1-4H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339984
(3,5-dichloro-N-(3-(4-((6-methylpyridin-2-yloxy)(4-...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(C)n1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H31Cl2F3N4O2/c1-18-4-3-5-25(37-18)40-27(20-6-8-22(9-7-20)29(32,33)34)21-11-14-38(15-12-21)19(2)10-13-36-28(39)26-23(30)16-35-17-24(26)31/h3-9,16-17,19,21,27H,10-15H2,1-2H3,(H,36,39) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339968
(3,5-dichloro-N-(3-(4-(2-(4-(trifluoromethyl)phenyl...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C1(Cc2ccccc2O1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H30Cl2F3N3O2/c1-19(10-13-37-28(39)27-24(31)17-36-18-25(27)32)38-14-11-22(12-15-38)29(16-20-4-2-3-5-26(20)40-29)21-6-8-23(9-7-21)30(33,34)35/h2-9,17-19,22H,10-16H2,1H3,(H,37,39) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 40 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339972
(3,5-dichloro-N-(3-(4-((3-cyanophenoxy)(4-(trifluor...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(c1)C#N)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H29Cl2F3N4O2/c1-19(9-12-38-29(40)27-25(31)17-37-18-26(27)32)39-13-10-22(11-14-39)28(41-24-4-2-3-20(15-24)16-36)21-5-7-23(8-6-21)30(33,34)35/h2-8,15,17-19,22,28H,9-14H2,1H3,(H,38,40) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339970
(3,5-dichloro-N-(3-(4-(phenoxy(4-(trifluoromethyl)p...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H30Cl2F3N3O2/c1-19(11-14-36-28(38)26-24(30)17-35-18-25(26)31)37-15-12-21(13-16-37)27(39-23-5-3-2-4-6-23)20-7-9-22(10-8-20)29(32,33)34/h2-10,17-19,21,27H,11-16H2,1H3,(H,36,38) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339983
(3,5-dichloro-N-(3-(4-((4-methylpyridin-2-yloxy)(4-...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cc(C)ccn1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H31Cl2F3N4O2/c1-18-7-11-36-25(15-18)40-27(20-3-5-22(6-4-20)29(32,33)34)21-9-13-38(14-10-21)19(2)8-12-37-28(39)26-23(30)16-35-17-24(26)31/h3-7,11,15-17,19,21,27H,8-10,12-14H2,1-2H3,(H,37,39) | PDB
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| n/a | n/a | 50 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339982
(3,5-dichloro-N-(3-(4-((3-methylpyridin-2-yloxy)(4-...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ncccc1C)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H31Cl2F3N4O2/c1-18-4-3-12-37-28(18)40-26(20-5-7-22(8-6-20)29(32,33)34)21-10-14-38(15-11-21)19(2)9-13-36-27(39)25-23(30)16-35-17-24(25)31/h3-8,12,16-17,19,21,26H,9-11,13-15H2,1-2H3,(H,36,39) | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339974
(3,5-dichloro-N-(3-(4-((3-chlorophenoxy)(4-(trifluo...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(Cl)c1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H29Cl3F3N3O2/c1-18(9-12-37-28(39)26-24(31)16-36-17-25(26)32)38-13-10-20(11-14-38)27(40-23-4-2-3-22(30)15-23)19-5-7-21(8-6-19)29(33,34)35/h2-8,15-18,20,27H,9-14H2,1H3,(H,37,39) | PDB
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| n/a | n/a | 60 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379707
(CHEMBL2011112)Show SMILES CC(C)N1Cc2c(nc(nc2NC(C)(C)Cc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H33ClN6O2/c1-16(2)32-15-20-21(23(32)34)27-24(31-12-10-30(11-13-31)17(3)33)28-22(20)29-25(4,5)14-18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29) | PDB
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| n/a | n/a | 61 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379719
(CHEMBL2011118)Show SMILES CC(C)N1Cc2c(nc(nc2N[C@H](C)c2ccc(OC(F)(F)F)cc2)N2CCN(CC2)C(C)=O)C1=O |r| Show InChI InChI=1S/C24H29F3N6O3/c1-14(2)33-13-19-20(22(33)35)29-23(32-11-9-31(10-12-32)16(4)34)30-21(19)28-15(3)17-5-7-18(8-6-17)36-24(25,26)27/h5-8,14-15H,9-13H2,1-4H3,(H,28,29,30)/t15-/m1/s1 | PDB
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| n/a | n/a | 64 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379736
(CHEMBL2011116)Show SMILES COc1cc(OC(F)(F)F)ccc1CNc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O Show InChI InChI=1S/C24H29F3N6O4/c1-14(2)33-13-18-20(22(33)35)29-23(32-9-7-31(8-10-32)15(3)34)30-21(18)28-12-16-5-6-17(11-19(16)36-4)37-24(25,26)27/h5-6,11,14H,7-10,12-13H2,1-4H3,(H,28,29,30) | PDB
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| n/a | n/a | 67 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379711
(CHEMBL2011120)Show SMILES CCOc1ccc(cc1)[C@@H](C)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C25H34N6O3/c1-6-34-20-9-7-19(8-10-20)17(4)26-23-21-15-31(16(2)3)24(33)22(21)27-25(28-23)30-13-11-29(12-14-30)18(5)32/h7-10,16-17H,6,11-15H2,1-5H3,(H,26,27,28)/t17-/m1/s1 | PDB
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| n/a | n/a | 69 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339986
(3,5-dichloro-N-(3-(4-((4-chloropyridin-2-yloxy)(4-...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cc(Cl)ccn1)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H28Cl3F3N4O2/c1-17(6-10-37-27(39)25-22(30)15-35-16-23(25)31)38-12-8-19(9-13-38)26(40-24-14-21(29)7-11-36-24)18-2-4-20(5-3-18)28(32,33)34/h2-5,7,11,14-17,19,26H,6,8-10,12-13H2,1H3,(H,37,39) | PDB
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| n/a | n/a | 70 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50044841
(CHEMBL3311192)Show InChI InChI=1S/C16H13F5N2O/c1-2-22-10-6-9(16(19,20)21)7-11(8-10)23-15(24)14-12(17)4-3-5-13(14)18/h3-8,22H,2H2,1H3,(H,23,24) | PDB
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| n/a | n/a | 74 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as change in calcium level by Fluo-4NW assay |
Bioorg Med Chem Lett 24: 3204-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.013
BindingDB Entry DOI: 10.7270/Q2H41T2V |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50044842
(CHEMBL3309280)Show SMILES CC(C)Nc1cc(NC(=O)c2c(F)cccc2F)cc(c1)C(F)(F)F Show InChI InChI=1S/C17H15F5N2O/c1-9(2)23-11-6-10(17(20,21)22)7-12(8-11)24-16(25)15-13(18)4-3-5-14(15)19/h3-9,23H,1-2H3,(H,24,25) | PDB
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| n/a | n/a | 91 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as change in calcium level by Fluo-4NW assay |
Bioorg Med Chem Lett 24: 3204-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.013
BindingDB Entry DOI: 10.7270/Q2H41T2V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339971
(3,5-dichloro-N-(3-(4-((2-cyanophenoxy)(4-(trifluor...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1C#N)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C30H29Cl2F3N4O2/c1-19(10-13-38-29(40)27-24(31)17-37-18-25(27)32)39-14-11-21(12-15-39)28(41-26-5-3-2-4-22(26)16-36)20-6-8-23(9-7-20)30(33,34)35/h2-9,17-19,21,28H,10-15H2,1H3,(H,38,40) | PDB
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| n/a | n/a | 100 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50044839
(CHEMBL3311190)Show InChI InChI=1S/C17H15F5N2O/c1-2-6-23-11-7-10(17(20,21)22)8-12(9-11)24-16(25)15-13(18)4-3-5-14(15)19/h3-5,7-9,23H,2,6H2,1H3,(H,24,25) | PDB
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| n/a | n/a | 110 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as change in calcium level by Fluo-4NW assay |
Bioorg Med Chem Lett 24: 3204-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.013
BindingDB Entry DOI: 10.7270/Q2H41T2V |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379713
(CHEMBL2011122)Show SMILES CCOc1ccc(cc1)[C@H](Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O)C(F)(F)F |r| Show InChI InChI=1S/C25H31F3N6O3/c1-5-37-18-8-6-17(7-9-18)21(25(26,27)28)30-22-19-14-34(15(2)3)23(36)20(19)29-24(31-22)33-12-10-32(11-13-33)16(4)35/h6-9,15,21H,5,10-14H2,1-4H3,(H,29,30,31)/t21-/m0/s1 | PDB
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| n/a | n/a | 115 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339973
(3,5-dichloro-N-(3-(4-((2-chlorophenoxy)(4-(trifluo...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H29Cl3F3N3O2/c1-18(10-13-37-28(39)26-23(31)16-36-17-24(26)32)38-14-11-20(12-15-38)27(40-25-5-3-2-4-22(25)30)19-6-8-21(9-7-19)29(33,34)35/h2-9,16-18,20,27H,10-15H2,1H3,(H,37,39) | PDB
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| n/a | n/a | 120 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339991
(3,5-dichloro-N-(3-(4-((4-(trifluoromethyl)phenyl)(...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(n1)C(F)(F)F)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C29H28Cl2F6N4O2/c1-17(9-12-39-27(42)25-21(30)15-38-16-22(25)31)41-13-10-19(11-14-41)26(18-5-7-20(8-6-18)28(32,33)34)43-24-4-2-3-23(40-24)29(35,36)37/h2-8,15-17,19,26H,9-14H2,1H3,(H,39,42) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339961
((E)-N-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)pi...)Show SMILES CCO\N=C(/C1CCN(CC1)C(C)CCNC(=O)c1c(Cl)cncc1Cl)c1ccc(Br)cc1 Show InChI InChI=1S/C24H29BrCl2N4O2/c1-3-33-30-23(17-4-6-19(25)7-5-17)18-9-12-31(13-10-18)16(2)8-11-29-24(32)22-20(26)14-28-15-21(22)27/h4-7,14-16,18H,3,8-13H2,1-2H3,(H,29,32)/b30-23- | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339966
(CHEMBL1762312 | N-(3-(4-((4-bromophenyl)(phenoxy)m...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccc1)c1ccc(Br)cc1 Show InChI InChI=1S/C28H30BrCl2N3O2/c1-19(11-14-33-28(35)26-24(30)17-32-18-25(26)31)34-15-12-21(13-16-34)27(20-7-9-22(29)10-8-20)36-23-5-3-2-4-6-23/h2-10,17-19,21,27H,11-16H2,1H3,(H,33,35) | PDB
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| n/a | n/a | 130 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
Cytochrome P450 1A2
(Homo sapiens (Human)) | BDBM50044833
(CHEMBL3311184)Show InChI InChI=1S/C17H17F3N2O/c1-2-8-21-14-9-13(17(18,19)20)10-15(11-14)22-16(23)12-6-4-3-5-7-12/h3-7,9-11,21H,2,8H2,1H3,(H,22,23) | PDB
MMDB
Reactome pathway
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PubMed
| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Competitive inhibition of CYP1A2 in human liver microsomes by LC-MS/MS analysis |
Bioorg Med Chem Lett 24: 3204-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.013
BindingDB Entry DOI: 10.7270/Q2H41T2V |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339976
(CHEMBL1762326 | N-(3-(4-((4-bromophenyl)(pyridin-2...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ccccn1)c1ccc(Br)cc1 Show InChI InChI=1S/C27H29BrCl2N4O2/c1-18(9-13-33-27(35)25-22(29)16-31-17-23(25)30)34-14-10-20(11-15-34)26(19-5-7-21(28)8-6-19)36-24-4-2-3-12-32-24/h2-8,12,16-18,20,26H,9-11,13-15H2,1H3,(H,33,35) | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339985
(3,5-dichloro-N-(3-(4-((3-chloropyridin-2-yloxy)(4-...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ncccc1Cl)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C28H28Cl3F3N4O2/c1-17(8-12-36-26(39)24-22(30)15-35-16-23(24)31)38-13-9-19(10-14-38)25(40-27-21(29)3-2-11-37-27)18-4-6-20(7-5-18)28(32,33)34/h2-7,11,15-17,19,25H,8-10,12-14H2,1H3,(H,36,39) | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339979
(CHEMBL1762330 | N-(3-(4-((4-bromophenyl)(4-methylp...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cc(C)ccn1)c1ccc(Br)cc1 Show InChI InChI=1S/C28H31BrCl2N4O2/c1-18-7-11-33-25(15-18)37-27(20-3-5-22(29)6-4-20)21-9-13-35(14-10-21)19(2)8-12-34-28(36)26-23(30)16-32-17-24(26)31/h3-7,11,15-17,19,21,27H,8-10,12-14H2,1-2H3,(H,34,36) | PDB
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| n/a | n/a | 140 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339957
((E)-3-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)pi...)Show SMILES CCO[N-][C+](C1CCN(CCCNC(=O)c2c(C)cc[n+]([O-])c2C)CC1)c1ccc(Br)cc1 Show InChI InChI=1S/C25H33BrN4O3/c1-4-33-28-24(20-6-8-22(26)9-7-20)21-11-15-29(16-12-21)14-5-13-27-25(31)23-18(2)10-17-30(32)19(23)3/h6-10,17,21H,4-5,11-16H2,1-3H3,(H,27,31) | PDB
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| n/a | n/a | 180 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339978
(CHEMBL1762329 | N-(3-(4-((4-bromophenyl)(3-methylp...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1ncccc1C)c1ccc(Br)cc1 Show InChI InChI=1S/C28H31BrCl2N4O2/c1-18-4-3-12-34-28(18)37-26(20-5-7-22(29)8-6-20)21-10-14-35(15-11-21)19(2)9-13-33-27(36)25-23(30)16-32-17-24(25)31/h3-8,12,16-17,19,21,26H,9-11,13-15H2,1-2H3,(H,33,36) | PDB
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| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50044833
(CHEMBL3311184)Show InChI InChI=1S/C17H17F3N2O/c1-2-8-21-14-9-13(17(18,19)20)10-15(11-14)22-16(23)12-6-4-3-5-7-12/h3-7,9-11,21H,2,8H2,1H3,(H,22,23) | PDB
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| n/a | n/a | 200 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as change in calcium level by Fluo-4NW assay |
Bioorg Med Chem Lett 24: 3204-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.013
BindingDB Entry DOI: 10.7270/Q2H41T2V |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379712
(CHEMBL2011121)Show SMILES CCOc1ccc(cc1)[C@@H](CC)Nc1nc(nc2C(=O)N(Cc12)C(C)C)N1CCN(CC1)C(C)=O |r| Show InChI InChI=1S/C26H36N6O3/c1-6-22(19-8-10-20(11-9-19)35-7-2)27-24-21-16-32(17(3)4)25(34)23(21)28-26(29-24)31-14-12-30(13-15-31)18(5)33/h8-11,17,22H,6-7,12-16H2,1-5H3,(H,27,28,29)/t22-/m1/s1 | PDB
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| n/a | n/a | 212 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339981
(CHEMBL1762332 | N-(3-(4-((4-bromophenyl)(6-methylp...)Show SMILES CC(CCNC(=O)c1c(Cl)cncc1Cl)N1CCC(CC1)C(Oc1cccc(C)n1)c1ccc(Br)cc1 Show InChI InChI=1S/C28H31BrCl2N4O2/c1-18-4-3-5-25(34-18)37-27(20-6-8-22(29)9-7-20)21-11-14-35(15-12-21)19(2)10-13-33-28(36)26-23(30)16-32-17-24(26)31/h3-9,16-17,19,21,27H,10-15H2,1-2H3,(H,33,36) | PDB
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PubMed
| n/a | n/a | 220 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379708
(CHEMBL2010931)Show SMILES COCCNc1nc2C(=O)N(Cc2c(NC(c2ccccc2)c2ccccc2)n1)C(C)C Show InChI InChI=1S/C25H29N5O2/c1-17(2)30-16-20-22(24(30)31)28-25(26-14-15-32-3)29-23(20)27-21(18-10-6-4-7-11-18)19-12-8-5-9-13-19/h4-13,17,21H,14-16H2,1-3H3,(H2,26,27,28,29) | PDB
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PubMed
| n/a | n/a | 255 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379734
(CHEMBL2011111)Show SMILES CC(C)N1Cc2c(nc(nc2NCC2(CCC2)c2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C26H33ClN6O2/c1-17(2)33-15-21-22(24(33)35)29-25(32-13-11-31(12-14-32)18(3)34)30-23(21)28-16-26(9-4-10-26)19-5-7-20(27)8-6-19/h5-8,17H,4,9-16H2,1-3H3,(H,28,29,30) | PDB
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| n/a | n/a | 262 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(Homo sapiens (Human)) | BDBM50379724
(CHEMBL2010933)Show SMILES CC(C)N1Cc2c(nc(nc2NC(c2ccccc2)c2ccccc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C28H32N6O2/c1-19(2)34-18-23-25(27(34)36)30-28(33-16-14-32(15-17-33)20(3)35)31-26(23)29-24(21-10-6-4-7-11-21)22-12-8-5-9-13-22/h4-13,19,24H,14-18H2,1-3H3,(H,29,30,31) | PDB
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| n/a | n/a | 268 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human P2X3 receptor expressed in RLE cells assessed as inhibition of (alpha,beta)me-ATP-induced intracellular calcium level by... |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
P2X purinoceptor 3
(RAT) | BDBM50379707
(CHEMBL2011112)Show SMILES CC(C)N1Cc2c(nc(nc2NC(C)(C)Cc2ccc(Cl)cc2)N2CCN(CC2)C(C)=O)C1=O Show InChI InChI=1S/C25H33ClN6O2/c1-16(2)32-15-20-21(23(32)34)27-24(31-12-10-30(11-13-31)17(3)33)28-22(20)29-25(4,5)14-18-6-8-19(26)9-7-18/h6-9,16H,10-15H2,1-5H3,(H,27,28,29) | PDB
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| n/a | n/a | 280 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at rat P2X3 receptor |
Bioorg Med Chem Lett 22: 2565-71 (2012)
Article DOI: 10.1016/j.bmcl.2012.01.124
BindingDB Entry DOI: 10.7270/Q29W0GGF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50339959
((E)-3-(3-(4-((4-bromophenyl)(ethoxyimino)methyl)pi...)Show SMILES CCO[N-][C+](C1CCN(CC1)C(C)CCNC(=O)c1c(C)cc[n+]([O-])c1C)c1ccc(Br)cc1 Show InChI InChI=1S/C26H35BrN4O3/c1-5-34-29-25(21-6-8-23(27)9-7-21)22-12-15-30(16-13-22)19(3)10-14-28-26(32)24-18(2)11-17-31(33)20(24)4/h6-9,11,17,19,22H,5,10,12-16H2,1-4H3,(H,28,32) | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
Genzyme Corp.
Curated by ChEMBL
| Assay Description
Displacement of [128I]-RANTES from CCR5 expressed in HEK293F cells |
Bioorg Med Chem Lett 21: 2450-5 (2011)
Article DOI: 10.1016/j.bmcl.2011.02.058
BindingDB Entry DOI: 10.7270/Q2F76CV3 |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50044832
(CHEMBL3311183)Show InChI InChI=1S/C15H15F3N2OS/c1-9(2)19-11-6-10(15(16,17)18)7-12(8-11)20-14(21)13-4-3-5-22-13/h3-9,19H,1-2H3,(H,20,21) | PDB
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| n/a | n/a | 290 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as change in calcium level by Fluo-4NW assay |
Bioorg Med Chem Lett 24: 3204-6 (2014)
Article DOI: 10.1016/j.bmcl.2014.05.013
BindingDB Entry DOI: 10.7270/Q2H41T2V |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily A member 1
(Homo sapiens (Human)) | BDBM50021820
(CHEMBL3297778)Show InChI InChI=1S/C13H9FN2O/c14-9-1-3-10(4-2-9)17-13-11-5-7-15-12(11)6-8-16-13/h1-8,15H | PDB
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| n/a | n/a | 310 | n/a | n/a | n/a | n/a | n/a | n/a |
AstraZeneca
Curated by ChEMBL
| Assay Description
Antagonist activity at human TRPA1 expressed in HEK293-TREx cells assessed as intracellular level after 48 of 72 hrs by Fluo-4 NW staining-based fluo... |
Bioorg Med Chem Lett 24: 3199-203 (2014)
Article DOI: 10.1016/j.bmcl.2014.04.045
BindingDB Entry DOI: 10.7270/Q2668FRT |
More data for this
Ligand-Target Pair | |
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