Found 484 hits with Last Name = 'marsh' and Initial = 'dj' 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 |
|---|
Bombesin receptor subtype-3
(RAT) | BDBM50336889
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 | KEGG
UniProtKB/SwissProt
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PC sid
UniChem
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| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]Bag-3 from rat BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(RAT) | BDBM50336889
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 | KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]Bag-3 from rat BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Mus musculus) | BDBM50336889
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 | KEGG
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
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| 1.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]Bag-3 from mouse BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50336889
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 | Reactome pathway
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| 3.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin (6-14) from human BRS-3 |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50336886
(1-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-2-[4-(...)Show SMILES CC(C)(C)Cc1cnc(CC(C)(O)c2ccc(cc2)-c2ccc(F)cn2)[nH]1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)11-18-14-25-20(26-18)12-22(4,27)16-7-5-15(6-8-16)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | PDB
MMDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 4.20E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50336885
(2-[4-(2,2-dimethylpropyl)-1H-imidazol-2-yl]-1-[4-(...)Show SMILES CC(C)(C)Cc1cnc([nH]1)C(C)(O)Cc1ccc(cc1)-c1ccc(F)cn1 Show InChI InChI=1S/C22H26FN3O/c1-21(2,3)12-18-14-25-20(26-18)22(4,27)11-15-5-7-16(8-6-15)19-10-9-17(23)13-24-19/h5-10,13-14,27H,11-12H2,1-4H3,(H,25,26) | PDB
MMDB
Reactome pathway
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PC sid
UniChem
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| Article
PubMed
| 5.90E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Potassium voltage-gated channel subfamily H member 2
(Homo sapiens (Human)) | BDBM50336889
((2S)-1,1,1-trifluoro-2-[4-(1H-pyrazol-1-yl)phenyl]...)Show SMILES O[C@@](Cc1ncc(CC2(CC2)C(F)(F)F)[nH]1)(c1ccc(cc1)-n1cccn1)C(F)(F)F |r| Show InChI InChI=1S/C20H18F6N4O/c21-19(22,23)17(6-7-17)10-14-12-27-16(29-14)11-18(31,20(24,25)26)13-2-4-15(5-3-13)30-9-1-8-28-30/h1-5,8-9,12,31H,6-7,10-11H2,(H,27,29)/t18-/m0/s1 | PDB
MMDB
Reactome pathway
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PC cid
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| >8.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Binding affinity to human ERG |
ACS Med Chem Lett 2: 43-47 (2011)
Article DOI: 10.1021/ml100196d
BindingDB Entry DOI: 10.7270/Q26D5T81 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200841
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
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MCE
PC cid
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| PDB
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
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200841
(CHEMBL220360 | MK-0364 | MK-0634 | N-((2S,3S)-4-(4...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1cccc(c1)C#N |r| Show InChI InChI=1S/C27H25ClF3N3O2/c1-17(34-25(35)26(2,3)36-24-12-9-21(16-33-24)27(29,30)31)23(14-18-7-10-22(28)11-8-18)20-6-4-5-19(13-20)15-32/h4-13,16-17,23H,14H2,1-3H3,(H,34,35)/t17-,23+/m0/s1 | PDB
NCI pathway
Reactome pathway
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| PDB
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
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314119
(3-(6-(2-chlorophenyl)-5-(4-chlorophenyl)-2-pivaloy...)Show SMILES CN(C)C(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C Show InChI InChI=1S/C27H25Cl2N3O3/c1-27(2,3)24(33)23-22(31-26(34)32(4)5)19-14-18(15-10-12-16(28)13-11-15)21(30-25(19)35-23)17-8-6-7-9-20(17)29/h6-14H,1-5H3,(H,31,34) | PDB
NCI pathway
Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.390 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314122
(CHEMBL1091832 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C25H20Cl2N2O4/c1-13(2)23(32)24-22(28-20(31)12-30)18-11-17(14-7-9-15(26)10-8-14)21(29-25(18)33-24)16-5-3-4-6-19(16)27/h3-11,13,30H,12H2,1-2H3,(H,28,31) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200833
(CHEMBL373626 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(cn1)C(F)(F)F)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF3N2O2/c1-17(22(19-7-5-4-6-8-19)15-18-9-12-21(27)13-10-18)32-24(33)25(2,3)34-23-14-11-20(16-31-23)26(28,29)30/h4-14,16-17,22H,15H2,1-3H3,(H,32,33)/t17-,22+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50381918
(CHEMBL2023113)Show SMILES NC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C25H20F6N4O4S/c26-24(27,28)19-10-5-14-13-35(40(37,38)16-8-6-15(7-9-16)39-25(29,30)31)20-17(23(22(32)36)11-2-12-23)3-1-4-18(20)33-21(14)34-19/h1,3-10H,2,11-13H2,(H2,32,36)(H,33,34) | Reactome pathway
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PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem 20: 2845-9 (2012)
Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50381917
(CHEMBL2023112)Show SMILES CC(C)(C(N)=O)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C24H20F6N4O4S/c1-22(2,21(31)35)16-4-3-5-17-19(16)34(12-13-6-11-18(23(25,26)27)33-20(13)32-17)39(36,37)15-9-7-14(8-10-15)38-24(28,29)30/h3-11H,12H2,1-2H3,(H2,31,35)(H,32,33) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem 20: 2845-9 (2012)
Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314118
(CHEMBL1090402 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C Show InChI InChI=1S/C26H22Cl2N2O3/c1-14(31)29-22-19-13-18(15-9-11-16(27)12-10-15)21(17-7-5-6-8-20(17)28)30-25(19)33-23(22)24(32)26(2,3)4/h5-13H,1-4H3,(H,29,31) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.580 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50381916
(CHEMBL2023111)Show SMILES CC(C)(O)c1nc(no1)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C29H25F6N5O5S/c1-26(2,41)25-38-24(39-45-25)27(13-4-14-27)19-5-3-6-20-22(19)40(15-16-7-12-21(28(30,31)32)37-23(16)36-20)46(42,43)18-10-8-17(9-11-18)44-29(33,34)35/h3,5-12,41H,4,13-15H2,1-2H3,(H,36,37) | Reactome pathway
KEGG
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| 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
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem 20: 2845-9 (2012)
Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50394612
(CHEMBL2164581)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(CO)n3)c12)C(F)(F)F Show InChI InChI=1S/C26H24F3N5O4S/c1-25(2,3)16-8-10-17(11-9-16)39(36,37)34-13-15-7-12-20(26(27,28)29)31-23(15)30-19-6-4-5-18(22(19)34)24-32-21(14-35)38-33-24/h4-12,35H,13-14H2,1-3H3,(H,30,31) | Reactome pathway
KEGG
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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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting |
ACS Med Chem Lett 3: 252-256 (2012)
Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50400247
(CHEMBL2179918)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc3ncccc3c12)C(F)(F)F Show InChI InChI=1S/C26H23F3N4O2S/c1-25(2,3)17-7-9-18(10-8-17)36(34,35)33-15-16-6-13-22(26(27,28)29)32-24(16)31-21-12-11-20-19(23(21)33)5-4-14-30-20/h4-14H,15H2,1-3H3,(H,31,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc... |
ACS Med Chem Lett 2: 933-937 (2011)
Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50394616
(CHEMBL2164577)Show SMILES Cn1cc(cn1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C27H26F3N5O2S/c1-26(2,3)19-9-11-20(12-10-19)38(36,37)35-16-17-8-13-23(27(28,29)30)33-25(17)32-22-7-5-6-21(24(22)35)18-14-31-34(4)15-18/h5-15H,16H2,1-4H3,(H,32,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting |
ACS Med Chem Lett 3: 252-256 (2012)
Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50394609
(CHEMBL2164223)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(n3)C(C)(C)O)c12)C(F)(F)F Show InChI InChI=1S/C28H28F3N5O4S/c1-26(2,3)17-10-12-18(13-11-17)41(38,39)36-15-16-9-14-21(28(29,30)31)33-23(16)32-20-8-6-7-19(22(20)36)24-34-25(40-35-24)27(4,5)37/h6-14,37H,15H2,1-5H3,(H,32,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting |
ACS Med Chem Lett 3: 252-256 (2012)
Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50400254
(CHEMBL2179911)Show SMILES Cc1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O2S/c1-15-6-5-7-19-21(15)30(14-16-8-13-20(24(25,26)27)29-22(16)28-19)33(31,32)18-11-9-17(10-12-18)23(2,3)4/h5-13H,14H2,1-4H3,(H,28,29) | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc... |
ACS Med Chem Lett 2: 933-937 (2011)
Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50394613
(CHEMBL2164580)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3ncon3)c12)C(F)(F)F Show InChI InChI=1S/C25H22F3N5O3S/c1-24(2,3)16-8-10-17(11-9-16)37(34,35)33-13-15-7-12-20(25(26,27)28)31-22(15)30-19-6-4-5-18(21(19)33)23-29-14-36-32-23/h4-12,14H,13H2,1-3H3,(H,30,31) | Reactome pathway
KEGG
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| 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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting |
ACS Med Chem Lett 3: 252-256 (2012)
Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200844
(CHEMBL219480 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cc(F)cc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H26ClF2NO2/c1-17(30-25(31)26(2,3)32-23-15-21(28)14-22(29)16-23)24(19-7-5-4-6-8-19)13-18-9-11-20(27)12-10-18/h4-12,14-17,24H,13H2,1-3H3,(H,30,31)/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 | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50394611
(CHEMBL2164582)Show SMILES C[C@H](O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r| Show InChI InChI=1S/C27H26F3N5O4S/c1-15(36)25-33-24(34-39-25)19-6-5-7-20-22(19)35(14-16-8-13-21(27(28,29)30)32-23(16)31-20)40(37,38)18-11-9-17(10-12-18)26(2,3)4/h5-13,15,36H,14H2,1-4H3,(H,31,32)/t15-/m0/s1 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting |
ACS Med Chem Lett 3: 252-256 (2012)
Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50400257
(CHEMBL2179908)Show SMILES Cc1ccc2Nc3nc(Cl)ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C Show InChI InChI=1S/C24H26ClN3O2S/c1-15-6-12-20-22(16(15)2)28(14-17-7-13-21(25)27-23(17)26-20)31(29,30)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,26,27) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc... |
ACS Med Chem Lett 2: 933-937 (2011)
Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314120
(CHEMBL1090404 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CNCC(=O)Nc1c(oc2nc(-c3ccccc3Cl)c(cc12)-c1ccc(Cl)cc1)C(=O)C(C)(C)C Show InChI InChI=1S/C27H25Cl2N3O3/c1-27(2,3)25(34)24-23(31-21(33)14-30-4)19-13-18(15-9-11-16(28)12-10-15)22(32-26(19)35-24)17-7-5-6-8-20(17)29/h5-13,30H,14H2,1-4H3,(H,31,33) | 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 | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314121
(CHEMBL1089032 | N-(6-(2-chlorophenyl)-5-(4-chlorop...)Show SMILES CC(C)(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1NC(=O)CO)-c1ccc(Cl)cc1 Show InChI InChI=1S/C26H22Cl2N2O4/c1-26(2,3)24(33)23-22(29-20(32)13-31)18-12-17(14-8-10-15(27)11-9-14)21(30-25(18)34-23)16-6-4-5-7-19(16)28/h4-12,31H,13H2,1-3H3,(H,29,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 1.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200836
(CHEMBL387027 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H26Cl2N2O2/c1-17(29-24(30)25(2,3)31-23-14-13-21(27)16-28-23)22(19-7-5-4-6-8-19)15-18-9-11-20(26)12-10-18/h4-14,16-17,22H,15H2,1-3H3,(H,29,30)/t17-,22+/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 | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50381915
(CHEMBL2023110)Show SMILES CC(C)(O)c1nc(no1)C(C)(C)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C28H25F6N5O5S/c1-25(2,23-37-24(44-38-23)26(3,4)40)18-6-5-7-19-21(18)39(14-15-8-13-20(27(29,30)31)36-22(15)35-19)45(41,42)17-11-9-16(10-12-17)43-28(32,33)34/h5-13,40H,14H2,1-4H3,(H,35,36) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem 20: 2845-9 (2012)
Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50394615
(CHEMBL2164578)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(C3CCNCC3)c12)C(F)(F)F Show InChI InChI=1S/C28H31F3N4O2S/c1-27(2,3)20-8-10-21(11-9-20)38(36,37)35-17-19-7-12-24(28(29,30)31)34-26(19)33-23-6-4-5-22(25(23)35)18-13-15-32-16-14-18/h4-12,18,32H,13-17H2,1-3H3,(H,33,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.40 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting |
ACS Med Chem Lett 3: 252-256 (2012)
Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200830
(CHEMBL385033 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cccc(Cl)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27Cl2NO2/c1-18(29-25(30)26(2,3)31-23-11-7-10-22(28)17-23)24(20-8-5-4-6-9-20)16-19-12-14-21(27)15-13-19/h4-15,17-18,24H,16H2,1-3H3,(H,29,30)/t18-,24+/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 | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50400246
(CHEMBL2179473)Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2ccc(C)c(C)c12)C(F)(F)F Show InChI InChI=1S/C24H24F3N3O2S/c1-14(2)17-6-9-19(10-7-17)33(31,32)30-13-18-8-12-21(24(25,26)27)29-23(18)28-20-11-5-15(3)16(4)22(20)30/h5-12,14H,13H2,1-4H3,(H,28,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc... |
ACS Med Chem Lett 2: 933-937 (2011)
Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200839
(CHEMBL385767 | N-[(1S,2S)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1cccc(F)c1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27ClFNO2/c1-18(29-25(30)26(2,3)31-23-11-7-10-22(28)17-23)24(20-8-5-4-6-9-20)16-19-12-14-21(27)15-13-19/h4-15,17-18,24H,16H2,1-3H3,(H,29,30)/t18-,24+/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 | 1.60 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50394608
(CHEMBL2164224)Show SMILES CC(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3noc(n3)C(C)(C)O)c12)C(F)(F)F Show InChI InChI=1S/C27H26F3N5O4S/c1-15(2)16-8-11-18(12-9-16)40(37,38)35-14-17-10-13-21(27(28,29)30)32-23(17)31-20-7-5-6-19(22(20)35)24-33-25(39-34-24)26(3,4)36/h5-13,15,36H,14H2,1-4H3,(H,31,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting |
ACS Med Chem Lett 3: 252-256 (2012)
Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314113
(1-(3-amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)fu...)Show SMILES CC(C)C(=O)c1oc2nc(-c3ccccc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H18Cl2N2O2/c1-12(2)21(28)22-19(26)17-11-16(13-7-9-14(24)10-8-13)20(27-23(17)29-22)15-5-3-4-6-18(15)25/h3-12H,26H2,1-2H3 | 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 | 1.70 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50394617
(CHEMBL2164576)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3cccnc3)c12)C(F)(F)F Show InChI InChI=1S/C28H25F3N4O2S/c1-27(2,3)20-10-12-21(13-11-20)38(36,37)35-17-19-9-14-24(28(29,30)31)34-26(19)33-23-8-4-7-22(25(23)35)18-6-5-15-32-16-18/h4-16H,17H2,1-3H3,(H,33,34) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.72 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting |
ACS Med Chem Lett 3: 252-256 (2012)
Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200831
(CHEMBL374791 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccn1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C25H27ClN2O2/c1-18(28-24(29)25(2,3)30-23-11-7-8-16-27-23)22(20-9-5-4-6-10-20)17-19-12-14-21(26)15-13-19/h4-16,18,22H,17H2,1-3H3,(H,28,29)/t18-,22+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50259339
(5-tert-butyl-8-(2-chlorophenyl)-9-(4-chlorophenyl)...)Show SMILES CC(C)(C)c1nc2nc(-c3ccccc3Cl)c(cc2c2n[nH]c(=O)n12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C24H19Cl2N5O/c1-24(2,3)22-28-20-17(21-29-30-23(32)31(21)22)12-16(13-8-10-14(25)11-9-13)19(27-20)15-6-4-5-7-18(15)26/h4-12H,1-3H3,(H,30,32) | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50394610
(CHEMBL2164222)Show SMILES C[C@@H](O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F |r| Show InChI InChI=1S/C27H26F3N5O4S/c1-15(36)25-33-24(34-39-25)19-6-5-7-20-22(19)35(14-16-8-13-21(27(28,29)30)32-23(16)31-20)40(37,38)18-11-9-17(10-12-18)26(2,3)4/h5-13,15,36H,14H2,1-4H3,(H,31,32)/t15-/m1/s1 | Reactome pathway
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| CHEMBL
PC cid
PC sid
UniChem
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PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-dY-peptide from human BRS-3 expressed in NFAT-CHO cells after 2 hrs by by liquid scintillation counting |
ACS Med Chem Lett 3: 252-256 (2012)
Article DOI: 10.1021/ml200304j
BindingDB Entry DOI: 10.7270/Q2PG1ST9 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50314112
(1-(3-amino-5-(4-chlorophenyl)-6-(2,4-dichloropheny...)Show SMILES CC(C)C(=O)c1oc2nc(-c3ccc(Cl)cc3Cl)c(cc2c1N)-c1ccc(Cl)cc1 Show InChI InChI=1S/C23H17Cl3N2O2/c1-11(2)21(29)22-19(27)17-10-16(12-3-5-13(24)6-4-12)20(28-23(17)30-22)15-8-7-14(25)9-18(15)26/h3-11H,27H2,1-2H3 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| n/a | n/a | 1.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of human CB1 receptor |
Bioorg Med Chem Lett 20: 1448-52 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.065
BindingDB Entry DOI: 10.7270/Q2028RPD |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200838
(CHEMBL217862 | N-((2S,3S)-4-(4-chlorophenyl)-3-phe...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccccc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H28ClNO2/c1-19(28-25(29)26(2,3)30-23-12-8-5-9-13-23)24(21-10-6-4-7-11-21)18-20-14-16-22(27)17-15-20/h4-17,19,24H,18H2,1-3H3,(H,28,29)/t19-,24+/m0/s1 | PDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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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 [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50381919
(CHEMBL2023114)Show SMILES CNC(=O)C1(CCC1)c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C26H22F6N4O4S/c1-33-23(37)24(12-3-13-24)18-4-2-5-19-21(18)36(14-15-6-11-20(25(27,28)29)35-22(15)34-19)41(38,39)17-9-7-16(8-10-17)40-26(30,31)32/h2,4-11H,3,12-14H2,1H3,(H,33,37)(H,34,35) | Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 2.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of 125I-dY-peptide from human BRS3 expressed in NFAT-CHO cells after 2 hrs by liquid scintillation counting |
Bioorg Med Chem 20: 2845-9 (2012)
Article DOI: 10.1016/j.bmc.2012.03.029
BindingDB Entry DOI: 10.7270/Q2F190R8 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50400249
(CHEMBL2179916)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(O)c12)C(F)(F)F Show InChI InChI=1S/C23H22F3N3O3S/c1-22(2,3)15-8-10-16(11-9-15)33(31,32)29-13-14-7-12-19(23(24,25)26)28-21(14)27-17-5-4-6-18(30)20(17)29/h4-12,30H,13H2,1-3H3,(H,27,28) | Reactome pathway
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UniChem
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PubMed
| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc... |
ACS Med Chem Lett 2: 933-937 (2011)
Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176420
(CHEMBL202169 | N-(3-acetyl-1-benzyl-6-(4-chlorophe...)Show SMILES CC(=O)Nc1c(C(C)=O)c(=O)n(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3Cl)c(cc12)-c1ccc(Cl)cc1 Show InChI InChI=1S/C31H22Cl3N3O3/c1-17(38)27-29(35-18(2)39)25-15-24(20-8-10-21(32)11-9-20)28(23-13-12-22(33)14-26(23)34)36-30(25)37(31(27)40)16-19-6-4-3-5-7-19/h3-15H,16H2,1-2H3,(H,35,39) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| 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 the CB1 receptor |
Bioorg Med Chem Lett 16: 681-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.028
BindingDB Entry DOI: 10.7270/Q2PZ58CM |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50176424
(CHEMBL201388 | N-(3-acetyl-6-(4-chlorophenyl)-7-(2...)Show SMILES CC(C)Cn1c2nc(-c3ccc(Cl)cc3Cl)c(cc2c(NC(C)=O)c(C(C)=O)c1=O)-c1ccc(Cl)cc1 Show InChI InChI=1S/C28H24Cl3N3O3/c1-14(2)13-34-27-22(26(32-16(4)36)24(15(3)35)28(34)37)12-21(17-5-7-18(29)8-6-17)25(33-27)20-10-9-19(30)11-23(20)31/h5-12,14H,13H2,1-4H3,(H,32,36) | PDB
NCI pathway
Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Patents
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| 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 the CB1 receptor |
Bioorg Med Chem Lett 16: 681-5 (2005)
Article DOI: 10.1016/j.bmcl.2005.10.028
BindingDB Entry DOI: 10.7270/Q2PZ58CM |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(RAT) | BDBM50314969
(2-(4-(2-(4-(2,2-dimethylbutyl)-1H-imidazol-2-yl)et...)Show SMILES CCC(C)(C)Cc1cnc(CCc2ccc(cc2)-c2ccccn2)[nH]1 Show InChI InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25) | KEGG
UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 2.40 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [125I]D-Tyr6-betaAla11-Phe13-Nle14-bombesin from rat BRS-3 expressed in NFAT-CHO cells after 2 hrs by scintillation counting |
Bioorg Med Chem Lett 20: 2074-7 (2010)
Article DOI: 10.1016/j.bmcl.2010.02.076
BindingDB Entry DOI: 10.7270/Q2XW4JX6 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200835
(CHEMBL219188 | N-[3-(4-chlorophenyl)-1-methyl-2-ph...)Show SMILES CC(NC(=O)C(C)(C)Oc1ccc(Cl)cc1)C(Cc1ccc(Cl)cc1)c1ccccc1 Show InChI InChI=1S/C26H27Cl2NO2/c1-18(29-25(30)26(2,3)31-23-15-13-22(28)14-16-23)24(20-7-5-4-6-8-20)17-19-9-11-21(27)12-10-19/h4-16,18,24H,17H2,1-3H3,(H,29,30) | 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 | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 1
(Homo sapiens (Human)) | BDBM50200828
(CHEMBL218649 | N-[(1R,2R)-3-(4-chlorophenyl)-1-met...)Show SMILES C[C@H](NC(=O)C(C)(C)Oc1ccc(Cl)cc1)[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 |r| Show InChI InChI=1S/C26H27Cl2NO2/c1-18(29-25(30)26(2,3)31-23-15-13-22(28)14-16-23)24(20-7-5-4-6-8-20)17-19-9-11-21(27)12-10-19/h4-16,18,24H,17H2,1-3H3,(H,29,30)/t18-,24+/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 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of [3H]CP-55940 binding to human recombinant CB1 receptor in CHO cells |
J Med Chem 49: 7584-7 (2006)
Article DOI: 10.1021/jm060996+
BindingDB Entry DOI: 10.7270/Q2QN67KG |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50400253
(CHEMBL2179912)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(Cl)c12)C(F)(F)F Show InChI InChI=1S/C23H21ClF3N3O2S/c1-22(2,3)15-8-10-16(11-9-15)33(31,32)30-13-14-7-12-19(23(25,26)27)29-21(14)28-18-6-4-5-17(24)20(18)30/h4-12H,13H2,1-3H3,(H,28,29) | Reactome pathway
KEGG
UniProtKB/SwissProt
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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 |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc... |
ACS Med Chem Lett 2: 933-937 (2011)
Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77 |
More data for this
Ligand-Target Pair | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50400243
(CHEMBL2179476)Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C22H17F6N3O3S/c1-12-3-9-17-19(13(12)2)31(11-14-4-10-18(21(23,24)25)30-20(14)29-17)35(32,33)16-7-5-15(6-8-16)34-22(26,27)28/h3-10H,11H2,1-2H3,(H,29,30) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.30 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [125I]-[D-Tyr6,beta-Ala11,Phe13,Nle14]-Bombesin(6-14) from human BRS3 expressed in CHO cells expressing NFAT after 2 hrs by liquid sc... |
ACS Med Chem Lett 2: 933-937 (2011)
Article DOI: 10.1021/ml200207w
BindingDB Entry DOI: 10.7270/Q25Q4X77 |
More data for this
Ligand-Target Pair | |
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