Found 49 hits of Enzyme Inhibition Constant Data Target/Host
(Institution) | Ligand | Target/Host
Links | Ligand
Links | Trg + Lig
Links | Ki
nM | ΔG°
kJ/mole | IC50
nM | Kd
nM | EC50/IC50
nM | koff
s-1 | kon
M-1s-1 | pH | Temp
°C |
|---|
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
UniProtKB/SwissProt
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 |
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)) | 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)) | 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
UniProtKB/SwissProt
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 |
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)) | 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
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]-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)) | 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
antibodypedia
GoogleScholar
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 |
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)) | 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 | |
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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| 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 | |
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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
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 | |
Bombesin receptor subtype-3
(Homo sapiens (Human)) | BDBM50381914
(CHEMBL2023109 | MK-7725)Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33) | Reactome pathway
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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 |
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)) | BDBM50394607
(CHEMBL2164225)Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H19F6N5O4S/c1-23(2,37)22-34-21(35-40-22)16-4-3-5-17-19(16)36(12-13-6-11-18(25(29,30)31)33-20(13)32-17)41(38,39)15-9-7-14(8-10-15)24(26,27)28/h3-11,37H,12H2,1-2H3,(H,32,33) | Reactome pathway
KEGG
UniProtKB/SwissProt
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 8.30 | 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)) | BDBM50394606
(CHEMBL2164226)Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C25H20F5N5O5S/c1-24(2,36)22-33-21(34-40-22)16-4-3-5-17-19(16)35(12-13-6-11-18(25(28,29)30)32-20(13)31-17)41(37,38)15-9-7-14(8-10-15)39-23(26)27/h3-11,23,36H,12H2,1-2H3,(H,31,32) | Reactome pathway
KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 18 | n/a | n/a | n/a | n/a | n/a | n/a |
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)) | BDBM50394614
(CHEMBL2164579)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F Show InChI InChI=1S/C25H22F3N5O4S/c1-24(2,3)15-8-10-16(11-9-15)38(35,36)33-13-14-7-12-19(25(26,27)28)30-21(14)29-18-6-4-5-17(20(18)33)22-31-23(34)37-32-22/h4-12H,13H2,1-3H3,(H,29,30)(H,31,32,34) | Reactome pathway
KEGG
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 29 | 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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 69 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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 | |
Nuclear receptor subfamily 1 group I member 2
(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 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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 | |
Nuclear receptor subfamily 1 group I member 2
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.18E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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 | |
Nuclear receptor subfamily 1 group I member 2
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.10E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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
(Mus musculus) | BDBM50381914
(CHEMBL2023109 | MK-7725)Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33) | KEGG
UniProtKB/SwissProt
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CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 130 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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 | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50381914
(CHEMBL2023109 | MK-7725)Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C25H19F6N5O5S/c1-23(2,37)22-34-21(35-41-22)16-4-3-5-17-19(16)36(12-13-6-11-18(24(26,27)28)33-20(13)32-17)42(38,39)15-9-7-14(8-10-15)40-25(29,30)31/h3-11,37H,12H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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
(Mus musculus) | 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) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 57 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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
(Mus musculus) | BDBM50394614
(CHEMBL2164579)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F Show InChI InChI=1S/C25H22F3N5O4S/c1-24(2,3)15-8-10-16(11-9-15)38(35,36)33-13-14-7-12-19(25(26,27)28)30-21(14)29-18-6-4-5-17(20(18)33)22-31-23(34)37-32-22/h4-12H,13H2,1-3H3,(H,29,30)(H,31,32,34) | KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 76 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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 | |
Nuclear receptor subfamily 1 group I member 2
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.80E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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
(Mus musculus) | BDBM50394606
(CHEMBL2164226)Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C25H20F5N5O5S/c1-24(2,36)22-33-21(34-40-22)16-4-3-5-17-19(16)35(12-13-6-11-18(25(28,29)30)32-20(13)31-17)41(37,38)15-9-7-14(8-10-15)39-23(26)27/h3-11,23,36H,12H2,1-2H3,(H,31,32) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 99 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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 | |
Nuclear receptor subfamily 1 group I member 2
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 2.40E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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
(Mus musculus) | 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 | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 134 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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)) | 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
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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)) | 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
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 114 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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)) | 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 | n/a | n/a | 63 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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
(Mus musculus) | 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) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 147 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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 | n/a | n/a | 52 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 40 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 42 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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 | |
Nuclear receptor subfamily 1 group I member 2
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 3.50E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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 | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50394618
(CHEMBL2164575)Show SMILES Cc1ccc2Nc3nc(ccc3CN(c2c1C)S(=O)(=O)c1ccc(cc1)C(C)(C)C)C(F)(F)F Show InChI InChI=1S/C25H26F3N3O2S/c1-15-6-12-20-22(16(15)2)31(14-17-7-13-21(25(26,27)28)30-23(17)29-20)34(32,33)19-10-8-18(9-11-19)24(3,4)5/h6-13H,14H2,1-5H3,(H,29,30) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 677 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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
(Mus musculus) | 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) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 102 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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)) | 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
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 56 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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
(Mus musculus) | 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) | KEGG
UniProtKB/SwissProt
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UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 93 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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
(Mus musculus) | 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 | KEGG
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 89 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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 | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50394607
(CHEMBL2164225)Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H19F6N5O4S/c1-23(2,37)22-34-21(35-40-22)16-4-3-5-17-19(16)36(12-13-6-11-18(25(29,30)31)33-20(13)32-17)41(38,39)15-9-7-14(8-10-15)24(26,27)28/h3-11,37H,12H2,1-2H3,(H,32,33) | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >3.00E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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 | |
Nuclear receptor subfamily 1 group I member 2
(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 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >2.50E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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
(Mus musculus) | 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) | KEGG
UniProtKB/SwissProt
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 115 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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
(Mus musculus) | 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) | KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 83 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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
(Mus musculus) | BDBM50394607
(CHEMBL2164225)Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C25H19F6N5O4S/c1-23(2,37)22-34-21(35-40-22)16-4-3-5-17-19(16)36(12-13-6-11-18(25(29,30)31)33-20(13)32-17)41(38,39)15-9-7-14(8-10-15)24(26,27)28/h3-11,37H,12H2,1-2H3,(H,32,33) | KEGG
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 95 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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 | |
Nuclear receptor subfamily 1 group I member 2
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 6.60E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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 | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50394614
(CHEMBL2164579)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F Show InChI InChI=1S/C25H22F3N5O4S/c1-24(2,3)15-8-10-16(11-9-15)38(35,36)33-13-14-7-12-19(25(26,27)28)30-21(14)29-18-6-4-5-17(20(18)33)22-31-23(34)37-32-22/h4-12H,13H2,1-3H3,(H,29,30)(H,31,32,34) | PDB
UniProtKB/SwissProt
antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.90E+3 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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 | |
Nuclear receptor subfamily 1 group I member 2
(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) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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)) | BDBM50394614
(CHEMBL2164579)Show SMILES CC(C)(C)c1ccc(cc1)S(=O)(=O)N1Cc2ccc(nc2Nc2cccc(-c3nc(=O)o[nH]3)c12)C(F)(F)F Show InChI InChI=1S/C25H22F3N5O4S/c1-24(2,3)15-8-10-16(11-9-15)38(35,36)33-13-14-7-12-19(25(26,27)28)30-21(14)29-18-6-4-5-17(20(18)33)22-31-23(34)37-32-22/h4-12H,13H2,1-3H3,(H,29,30)(H,31,32,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
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PubMed
| n/a | n/a | n/a | n/a | 77 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at human BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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 | |
Nuclear receptor subfamily 1 group I member 2
(Homo sapiens (Human)) | BDBM50394606
(CHEMBL2164226)Show SMILES CC(C)(O)c1nc(no1)-c1cccc2Nc3nc(ccc3CN(c12)S(=O)(=O)c1ccc(OC(F)F)cc1)C(F)(F)F Show InChI InChI=1S/C25H20F5N5O5S/c1-24(2,36)22-33-21(34-40-22)16-4-3-5-17-19(16)35(12-13-6-11-18(25(28,29)30)32-20(13)31-17)41(37,38)15-9-7-14(8-10-15)39-23(26)27/h3-11,23,36H,12H2,1-2H3,(H,31,32) | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 1.00E+4 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Activation of PXR |
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
(Mus musculus) | 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) | KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | n/a | n/a | 58 | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Agonist activity at mouse BRS-3 expressed in HEK293AEQ cells assessed as bioluminescence for 10 mins by aequorin bioluminescence assay |
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 | |
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