Found 325 hits with Last Name = 'guthikonda' and Initial = 'r' 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)) | BDBM50148285
(2-{(S)-3-[4-(2-Benzyl-thiazol-5-yl)-piperidin-1-yl...)Show SMILES OC(=O)C(CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)C(C1)c1ccccc1 Show InChI InChI=1S/C33H41N3O2S/c37-33(38)30(18-24-10-7-11-24)36-22-28(29(23-36)26-12-5-2-6-13-26)21-35-16-14-27(15-17-35)31-20-34-32(39-31)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-30H,7,10-11,14-19,21-23H2,(H,37,38)/t28-,29?,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 | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50148286
(2-{(S)-3-[4-(2-Benzyl-thiazol-5-yl)-piperidin-1-yl...)Show SMILES OC(=O)C(CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)C(C1)c1ccccc1 Show InChI InChI=1S/C32H39N3O2S/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28?,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 | 0.230 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249465
((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperid...)Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-23-29(30(24-37)26-12-6-2-7-13-26)22-36-18-16-27(17-19-36)31-21-35-32(40-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,30+,33+/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 | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205166
(CHEMBL231636 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cncc(c1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-23-13-21(15-33-16-23)27(29,30)31)24(12-18-7-9-22(28)10-8-18)20-6-4-5-19(11-20)14-32/h4-11,13,15-17,24H,12H2,1-3H3,(H,34,35)/t17-,24+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249467
((R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidi...)Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C33H41N3O3/c37-33(38)30(18-24-10-7-11-24)36-22-28(29(23-36)26-12-5-2-6-13-26)21-35-16-14-27(15-17-35)31-20-34-32(39-31)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-30H,7,10-11,14-19,21-23H2,(H,37,38)/t28-,29+,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 | 0.340 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50404275
(CHEMBL2112559)Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C33H42N4O2/c38-33(39)31(18-24-10-7-11-24)37-22-28(29(23-37)26-12-5-2-6-13-26)21-36-16-14-27(15-17-36)30-20-34-32(35-30)19-25-8-3-1-4-9-25/h1-6,8-9,12-13,20,24,27-29,31H,7,10-11,14-19,21-23H2,(H,34,35)(H,38,39)/t28-,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 | 0.380 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249334
((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-5-yl)piperid...)Show SMILES CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C31H39N3O2S/c1-22(2)30(31(35)36)34-20-26(27(21-34)24-11-7-4-8-12-24)19-33-15-13-25(14-16-33)28-18-32-29(37-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,35,36)/t26-,27+,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 | 0.510 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50404276
(CHEMBL2112558)Show SMILES CCc1nc(Cc2ccccc2)[nH]c1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 Show InChI InChI=1S/C35H45FN4O2/c1-2-31-34(38-33(37-31)19-25-8-4-3-5-9-25)26-14-16-39(17-15-26)21-28-22-40(32(35(41)42)18-24-10-6-11-24)23-30(28)27-12-7-13-29(36)20-27/h3-5,7-9,12-13,20,24,26,28,30,32H,2,6,10-11,14-19,21-23H2,1H3,(H,37,38)(H,41,42)/t28-,30+,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 | 0.570 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50404274
(CHEMBL2112557)Show SMILES OC(=O)[C@@H](CC1CCC1)N1C[C@H](CN2CCC(CC2)c2[nH]c(Cc3ccccc3)nc2Cl)[C@H](C1)c1cccc(F)c1 Show InChI InChI=1S/C33H40ClFN4O2/c34-32-31(36-30(37-32)17-23-6-2-1-3-7-23)24-12-14-38(15-13-24)19-26-20-39(29(33(40)41)16-22-8-4-9-22)21-28(26)25-10-5-11-27(35)18-25/h1-3,5-7,10-11,18,22,24,26,28-29H,4,8-9,12-17,19-21H2,(H,36,37)(H,40,41)/t26-,28+,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 | 0.600 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249302
((R)-2-((3S,4S)-3-((4-(2-benzyl-1H-imidazol-5-yl)pi...)Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H44N4O2/c39-34(40)33(28-14-8-3-9-15-28)38-23-29(30(24-38)26-12-6-2-7-13-26)22-37-18-16-27(17-19-37)31-21-35-32(36-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-30,33H,3,8-9,14-20,22-24H2,(H,35,36)(H,39,40)/t29-,30+,33+/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 | 0.670 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50404272
(CHEMBL2112552)Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2[nH]c(Cc3ccccc3)nc2Cl)[C@H](C1)c1cccc(F)c1 Show InChI InChI=1S/C32H38ClFN4O2/c33-31-30(35-29(36-31)16-21-5-2-1-3-6-21)23-11-13-37(14-12-23)18-25-19-38(28(32(39)40)15-22-9-10-22)20-27(25)24-7-4-8-26(34)17-24/h1-8,17,22-23,25,27-28H,9-16,18-20H2,(H,35,36)(H,39,40)/t25-,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 | 0.700 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50404278
(CHEMBL2112560)Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C32H40N4O2/c37-32(38)30(17-24-11-12-24)36-21-27(28(22-36)25-9-5-2-6-10-25)20-35-15-13-26(14-16-35)29-19-33-31(34-29)18-23-7-3-1-4-8-23/h1-10,19,24,26-28,30H,11-18,20-22H2,(H,33,34)(H,37,38)/t27-,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 | 0.730 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50404277
(CHEMBL2112553)Show SMILES CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 Show InChI InChI=1S/C35H44FN3O2S/c1-2-31-34(42-33(37-31)19-25-8-4-3-5-9-25)26-14-16-38(17-15-26)21-28-22-39(32(35(40)41)18-24-10-6-11-24)23-30(28)27-12-7-13-29(36)20-27/h3-5,7-9,12-13,20,24,26,28,30,32H,2,6,10-11,14-19,21-23H2,1H3,(H,40,41)/t28-,30+,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 | 0.760 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50404273
(CHEMBL2112556)Show SMILES CCc1nc(Cc2ccccc2)oc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](CC2CCC2)C(O)=O)CC1 Show InChI InChI=1S/C35H44FN3O3/c1-2-31-34(42-33(37-31)19-25-8-4-3-5-9-25)26-14-16-38(17-15-26)21-28-22-39(32(35(40)41)18-24-10-6-11-24)23-30(28)27-12-7-13-29(36)20-27/h3-5,7-9,12-13,20,24,26,28,30,32H,2,6,10-11,14-19,21-23H2,1H3,(H,40,41)/t28-,30+,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 | 0.890 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50404280
(CHEMBL2112555)Show SMILES CCc1nc(Cc2ccccc2)sc1C1CCN(C[C@H]2CN(C[C@@H]2c2cccc(F)c2)[C@H](C(C)C)C(O)=O)CC1 Show InChI InChI=1S/C33H42FN3O2S/c1-4-29-32(40-30(35-29)17-23-9-6-5-7-10-23)24-13-15-36(16-14-24)19-26-20-37(31(22(2)3)33(38)39)21-28(26)25-11-8-12-27(34)18-25/h5-12,18,22,24,26,28,31H,4,13-17,19-21H2,1-3H3,(H,38,39)/t26-,28+,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 | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50105510
(Allyl-{1-[(S)-4-(benzenesulfonyl-methyl-amino)-3-m...)Show SMILES CN(C[C@@](C)(CCN1CCC(CC1)N(CC=C)C(=O)OCc1ccc(cc1)[N+]([O-])=O)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C34H42N4O6S/c1-4-22-37(33(39)44-26-28-15-17-31(18-16-28)38(40)41)30-19-23-36(24-20-30)25-21-34(2,29-11-7-5-8-12-29)27-35(3)45(42,43)32-13-9-6-10-14-32/h4-18,30H,1,19-27H2,2-3H3/t34-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand |
Bioorg Med Chem Lett 15: 977-82 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.044
BindingDB Entry DOI: 10.7270/Q2G44PSF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50404279
(CHEMBL2112554)Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(n2)-c2ccccc2)[C@H](C1)c1ccccc1 Show InChI InChI=1S/C33H41N3O2S/c37-33(38)31(26-12-6-2-7-13-26)36-21-28(29(22-36)24-10-4-1-5-11-24)20-35-18-16-25(17-19-35)30-23-39-32(34-30)27-14-8-3-9-15-27/h1,3-5,8-11,14-15,23,25-26,28-29,31H,2,6-7,12-13,16-22H2,(H,37,38)/t28-,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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249303
((R)-2-((3S,4S)-3-((4-(2-benzylthiazol-4-yl)piperid...)Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2csc(Cc3ccccc3)n2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H43N3O2S/c38-34(39)33(28-14-8-3-9-15-28)37-22-29(30(23-37)26-12-6-2-7-13-26)21-36-18-16-27(17-19-36)31-24-40-32(35-31)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,24,27-30,33H,3,8-9,14-23H2,(H,38,39)/t29-,30+,33+/m0/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249304
((R)-2-((3S,4S)-3-((4-(5-benzyloxazol-2-yl)piperidi...)Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ncc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H43N3O3/c38-34(39)32(27-14-8-3-9-15-27)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-28(17-19-36)33-35-21-30(40-33)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31-32H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249466
((R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidi...)Show SMILES OC(=O)[C@@H](CC1CC1)N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C32H39N3O3/c36-32(37)29(17-24-11-12-24)35-21-27(28(22-35)25-9-5-2-6-10-25)20-34-15-13-26(14-16-34)30-19-33-31(38-30)18-23-7-3-1-4-8-23/h1-10,19,24,26-29H,11-18,20-22H2,(H,36,37)/t27-,28+,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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249430
((R)-2-((3S,4S)-3-((4-(5-benzylthiazol-2-yl)piperid...)Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2ncc(Cc3ccccc3)s2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C34H43N3O2S/c38-34(39)32(27-14-8-3-9-15-27)37-23-29(31(24-37)26-12-6-2-7-13-26)22-36-18-16-28(17-19-36)33-35-21-30(40-33)20-25-10-4-1-5-11-25/h1-2,4-7,10-13,21,27-29,31-32H,3,8-9,14-20,22-24H2,(H,38,39)/t29-,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 | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50104235
(CHEMBL85086 | {1-[(S)-4-(Benzenesulfonyl-methyl-am...)Show SMILES CCN(C1CCN(CC[C@H](CN(C)S(=O)(=O)c2ccccc2)c2ccccc2)CC1)C(=O)OCc1ccccc1 Show InChI InChI=1S/C32H41N3O4S/c1-3-35(32(36)39-26-27-13-7-4-8-14-27)30-20-23-34(24-21-30)22-19-29(28-15-9-5-10-16-28)25-33(2)40(37,38)31-17-11-6-12-18-31/h4-18,29-30H,3,19-26H2,1-2H3/t29-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand |
Bioorg Med Chem Lett 15: 977-82 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.044
BindingDB Entry DOI: 10.7270/Q2G44PSF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50160674
(5-[4-(Benzenesulfonyl-methyl-amino)-3-methyl-3-phe...)Show SMILES CN(CC(C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H43N3O4S/c1-29(2,3)37-28(34)33-20-16-24-22-32(19-17-27(24)33)21-18-30(4,25-12-8-6-9-13-25)23-31(5)38(35,36)26-14-10-7-11-15-26/h6-15,24,27H,16-23H2,1-5H3 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand |
Bioorg Med Chem Lett 15: 977-82 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.044
BindingDB Entry DOI: 10.7270/Q2G44PSF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Rattus norvegicus (rat)) | BDBM50205167
(CHEMBL230717 | biphenyl-3-sulfonic acid [(1S,2S)-3...)Show SMILES C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C29H25ClN2O2S/c1-21(32-35(33,34)28-12-6-10-25(19-28)24-8-3-2-4-9-24)29(18-22-13-15-27(30)16-14-22)26-11-5-7-23(17-26)20-31/h2-17,19,21,29,32H,18H2,1H3/t21-,29+/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity at rat CB1 receptor |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205167
(CHEMBL230717 | biphenyl-3-sulfonic acid [(1S,2S)-3...)Show SMILES C[C@H](NS(=O)(=O)c1cccc(c1)-c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C29H25ClN2O2S/c1-21(32-35(33,34)28-12-6-10-25(19-28)24-8-3-2-4-9-24)29(18-22-13-15-27(30)16-14-22)26-11-5-7-23(17-26)20-31/h2-17,19,21,29,32H,18H2,1H3/t21-,29+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205164
(CHEMBL230715 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NS(=O)(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C25H19ClF6N2O2S/c1-15(23(10-16-5-7-21(26)8-6-16)18-4-2-3-17(9-18)14-33)34-37(35,36)22-12-19(24(27,28)29)11-20(13-22)25(30,31)32/h2-9,11-13,15,23,34H,10H2,1H3/t15-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50160678
(5-[(R)-4-(Benzenesulfonyl-methyl-amino)-3-methyl-3...)Show SMILES CN(C[C@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H40N4O6S/c1-33(28-9-5-3-6-10-28,25-34(2)44(41,42)30-11-7-4-8-12-30)19-22-35-20-18-31-27(23-35)17-21-36(31)32(38)43-24-26-13-15-29(16-14-26)37(39)40/h3-16,27,31H,17-25H2,1-2H3/t27?,31?,33-/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 | 3.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand |
Bioorg Med Chem Lett 15: 977-82 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.044
BindingDB Entry DOI: 10.7270/Q2G44PSF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249333
((R)-2-((3S,4S)-3-((4-(2-benzyloxazol-5-yl)piperidi...)Show SMILES CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)o2)[C@H](C1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C31H39N3O3/c1-22(2)30(31(35)36)34-20-26(27(21-34)24-11-7-4-8-12-24)19-33-15-13-25(14-16-33)28-18-32-29(37-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,35,36)/t26-,27+,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 | 3.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205181
(CHEMBL230716 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NS(=O)(=O)c1cc(F)cc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H19ClF2N2O2S/c1-15(28-31(29,30)22-12-20(25)11-21(26)13-22)23(10-16-5-7-19(24)8-6-16)18-4-2-3-17(9-18)14-27/h2-9,11-13,15,23,28H,10H2,1H3/t15-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50160682
(CHEMBL180274 | N-Methyl-N-{(S)-2-methyl-4-[1-(4-ni...)Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccc(cc2)[N+]([O-])=O)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H40N4O5S/c1-33(28-9-5-3-6-10-28,25-34(2)43(41,42)30-11-7-4-8-12-30)20-22-35-21-19-31-27(24-35)15-18-32(38)36(31)23-26-13-16-29(17-14-26)37(39)40/h3-14,16-17,27,31H,15,18-25H2,1-2H3/t27?,31?,33-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 5.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand |
Bioorg Med Chem Lett 15: 977-82 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.044
BindingDB Entry DOI: 10.7270/Q2G44PSF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM21278
(5-(4-chlorophenyl)-1-(2,4-dichlorophenyl)-4-methyl...)Show SMILES Cc1c(nn(c1-c1ccc(Cl)cc1)-c1ccc(Cl)cc1Cl)C(=O)NN1CCCCC1 Show InChI InChI=1S/C22H21Cl3N4O/c1-14-20(22(30)27-28-11-3-2-4-12-28)26-29(19-10-9-17(24)13-18(19)25)21(14)15-5-7-16(23)8-6-15/h5-10,13H,2-4,11-12H2,1H3,(H,27,30) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
DrugBank
MCE
KEGG
PC cid
PC sid
PDB
UniChem
Patents
Similars
| DrugBank
Article
PubMed
| n/a | n/a | 6.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249429
((R)-2-cyclohexyl-2-((3S,4S)-3-phenyl-4-((4-(2-phen...)Show SMILES OC(=O)[C@@H](C1CCCCC1)N1C[C@H](CN2CCC(CC2)c2cnc([nH]2)-c2ccccc2)[C@H](C1)c1ccccc1 |r| Show InChI InChI=1S/C33H42N4O2/c38-33(39)31(26-12-6-2-7-13-26)37-22-28(29(23-37)24-10-4-1-5-11-24)21-36-18-16-25(17-19-36)30-20-34-32(35-30)27-14-8-3-9-15-27/h1,3-5,8-11,14-15,20,25-26,28-29,31H,2,6-7,12-13,16-19,21-23H2,(H,34,35)(H,38,39)/t28-,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 | 6.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50160679
(CHEMBL426048 | N-Methyl-N-[(S)-2-methyl-2-phenyl-4...)Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H41N3O3S/c1-33(29-14-8-4-9-15-29,26-34(2)40(38,39)30-16-10-5-11-17-30)20-23-35-21-19-31-28(25-35)18-22-36(31)32(37)24-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3/t28?,31?,33-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand |
Bioorg Med Chem Lett 15: 977-82 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.044
BindingDB Entry DOI: 10.7270/Q2G44PSF |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50249332
((R)-2-((3S,4S)-3-((4-(2-benzyl-1H-imidazol-5-yl)pi...)Show SMILES CC(C)[C@@H](N1C[C@H](CN2CCC(CC2)c2cnc(Cc3ccccc3)[nH]2)[C@H](C1)c1ccccc1)C(O)=O |r| Show InChI InChI=1S/C31H40N4O2/c1-22(2)30(31(36)37)35-20-26(27(21-35)24-11-7-4-8-12-24)19-34-15-13-25(14-16-34)28-18-32-29(33-28)17-23-9-5-3-6-10-23/h3-12,18,22,25-27,30H,13-17,19-21H2,1-2H3,(H,32,33)(H,36,37)/t26-,27+,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 | 7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human C-C chemokine receptor type 5 assayed using [125I]-MIP-1 alpha as radioligand |
Bioorg Med Chem Lett 14: 3419-24 (2004)
Article DOI: 10.1016/j.bmcl.2004.04.078
BindingDB Entry DOI: 10.7270/Q2X63MD1 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205160
(2,4-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)Show SMILES C[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)23-10-9-20(25)13-22(23)26)21(12-16-5-7-19(24)8-6-16)18-4-2-3-17(11-18)14-27/h2-11,13,15,21,28H,12H2,1H3/t15-,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205172
(2,5-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)Show SMILES C[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)23-13-20(25)9-10-22(23)26)21(12-16-5-7-19(24)8-6-16)18-4-2-3-17(11-18)14-27/h2-11,13,15,21,28H,12H2,1H3/t15-,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50160683
(5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-methyl-3...)Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OCc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H41N3O4S/c1-33(29-14-8-4-9-15-29,26-34(2)41(38,39)30-16-10-5-11-17-30)20-23-35-21-19-31-28(24-35)18-22-36(31)32(37)40-25-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3/t28?,31?,33-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand |
Bioorg Med Chem Lett 15: 977-82 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.044
BindingDB Entry DOI: 10.7270/Q2G44PSF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205177
(CHEMBL397243 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NS(=O)(=O)c1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H21ClN2O2S/c1-17(26-29(27,28)22-8-3-2-4-9-22)23(15-18-10-12-21(24)13-11-18)20-7-5-6-19(14-20)16-25/h2-14,17,23,26H,15H2,1H3/t17-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 9.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50160675
(CHEMBL361585 | N-[(S)-4-(1-Benzyl-2-oxo-octahydro-...)Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCC(=O)N2Cc2ccccc2)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C33H41N3O3S/c1-33(29-14-8-4-9-15-29,26-34(2)40(38,39)30-16-10-5-11-17-30)21-23-35-22-20-31-28(25-35)18-19-32(37)36(31)24-27-12-6-3-7-13-27/h3-17,28,31H,18-26H2,1-2H3/t28?,31?,33-/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand |
Bioorg Med Chem Lett 15: 977-82 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.044
BindingDB Entry DOI: 10.7270/Q2G44PSF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205176
(2,3-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)Show SMILES C[C@H](NS(=O)(=O)c1cccc(Cl)c1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)22-7-3-6-21(25)23(22)26)20(13-16-8-10-19(24)11-9-16)18-5-2-4-17(12-18)14-27/h2-12,15,20,28H,13H2,1H3/t15-,20+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10.7 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50160677
(5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-methyl-3...)Show SMILES CN(C[C@@](C)(CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C30H43N3O4S/c1-29(2,3)37-28(34)33-20-16-24-22-32(19-17-27(24)33)21-18-30(4,25-12-8-6-9-13-25)23-31(5)38(35,36)26-14-10-7-11-15-26/h6-15,24,27H,16-23H2,1-5H3/t24?,27?,30-/m1/s1 | 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand |
Bioorg Med Chem Lett 15: 977-82 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.044
BindingDB Entry DOI: 10.7270/Q2G44PSF |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205179
(3,5-dichloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cy...)Show SMILES C[C@H](NS(=O)(=O)c1cc(Cl)cc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H19Cl3N2O2S/c1-15(28-31(29,30)22-12-20(25)11-21(26)13-22)23(10-16-5-7-19(24)8-6-16)18-4-2-3-17(9-18)14-27/h2-9,11-13,15,23,28H,10H2,1H3/t15-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 11.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205183
(2-chloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanop...)Show SMILES C[C@H](NS(=O)(=O)c1ccccc1Cl)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H20Cl2N2O2S/c1-16(27-30(28,29)23-8-3-2-7-22(23)25)21(14-17-9-11-20(24)12-10-17)19-6-4-5-18(13-19)15-26/h2-13,16,21,27H,14H2,1H3/t16-,21+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 12.3 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205189
(3-chloro-N-((2S,3S)-4-(4-chlorophenyl)-3-(3-cyanop...)Show SMILES C[C@H](NS(=O)(=O)c1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C23H20Cl2N2O2S/c1-16(27-30(28,29)22-7-3-6-21(25)14-22)23(13-17-8-10-20(24)11-9-17)19-5-2-4-18(12-19)15-26/h2-12,14,16,23,27H,13H2,1H3/t16-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 13.9 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50164777
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS) |
Bioorg Med Chem Lett 15: 1997-2001 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205185
(CHEMBL389353 | N-((2S,3S)-4-(4-chlorophenyl)-3-(3-...)Show SMILES C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C27H23ClN2O2S/c1-19(30-33(31,32)26-14-11-22-6-2-3-7-23(22)17-26)27(16-20-9-12-25(28)13-10-20)24-8-4-5-21(15-24)18-29/h2-15,17,19,27,30H,16H2,1H3/t19-,27+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50164777
((4R,4aR,7aR)-4-Methyl-octahydro-[1]pyrindin-(2E)-y...)Show InChI InChI=1S/C9H16N2/c1-6-5-9(10)11-8-4-2-3-7(6)8/h6-8H,2-5H2,1H3,(H2,10,11)/t6-,7-,8-/m1/s1 | PDB
MMDB
NCI pathway
Reactome pathway
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory activity against human Inducible nitric oxide synthase (iNOS) |
Bioorg Med Chem Lett 15: 1997-2001 (2005)
Article DOI: 10.1016/j.bmcl.2005.02.067
BindingDB Entry DOI: 10.7270/Q2XK8F3M |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50205174
((4-chlorophenyl)-N-((2S,3S)-4-(4-chlorophenyl)-3-(...)Show SMILES C[C@H](NS(=O)(=O)Cc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N Show InChI InChI=1S/C24H22Cl2N2O2S/c1-17(28-31(29,30)16-19-7-11-23(26)12-8-19)24(14-18-5-9-22(25)10-6-18)21-4-2-3-20(13-21)15-27/h2-13,17,24,28H,14,16H2,1H3/t17-,24+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 15.4 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]CP55940 from human recombinant CB1 receptor expressed in CHO cells |
Bioorg Med Chem Lett 17: 2184-7 (2007)
Article DOI: 10.1016/j.bmcl.2007.01.087
BindingDB Entry DOI: 10.7270/Q2HM584G |
More data for this
Ligand-Target Pair | |
Nitric oxide synthase, inducible
(Homo sapiens (Human)) | BDBM50062133
(4-Methyl-piperidin-(2E)-ylideneamine | 4-Methyl-pi...)Show InChI InChI=1S/C6H12N2/c1-5-2-3-8-6(7)4-5/h5H,2-4H2,1H3,(H2,7,8) | PDB
MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories Rahway
Curated by ChEMBL
| Assay Description
Inhibitory activity against inducible nitric oxide synthase (iNOS) |
Bioorg Med Chem Lett 10: 1975-8 (2001)
BindingDB Entry DOI: 10.7270/Q2319V30 |
More data for this
Ligand-Target Pair | |
C-C chemokine receptor type 5
(Homo sapiens (Human)) | BDBM50160684
(5-[(S)-4-(Benzenesulfonyl-methyl-amino)-3-phenyl-b...)Show SMILES CN(C[C@@H](CCN1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1 Show InChI InChI=1S/C29H41N3O4S/c1-29(2,3)36-28(33)32-20-16-25-22-31(19-17-27(25)32)18-15-24(23-11-7-5-8-12-23)21-30(4)37(34,35)26-13-9-6-10-14-26/h5-14,24-25,27H,15-22H2,1-4H3/t24-,25?,27?/m1/s1 | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibitory concentration against human C-C chemokine receptor type 5 in CHOcells with [125I]-MIP-1 alpha radioligand |
Bioorg Med Chem Lett 15: 977-82 (2005)
Article DOI: 10.1016/j.bmcl.2004.12.044
BindingDB Entry DOI: 10.7270/Q2G44PSF |
More data for this
Ligand-Target Pair | |
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