Found 116 hits with Last Name = 'kershaw' and Initial = 'mt' 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 |
|---|
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50202412
(3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...)Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1 | PDB
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CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.440 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50127438
(1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45) | PDB
KEGG
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antibodypedia
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AffyNet
| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.590 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50132951
(8-(2,4-dichlorophenyl)-2-methyl-N,N-dipropylquinol...)Show SMILES CCCN(CCC)c1cc(C)nc2c(cccc12)-c1ccc(Cl)cc1Cl Show InChI InChI=1S/C22H24Cl2N2/c1-4-11-26(12-5-2)21-13-15(3)25-22-18(7-6-8-19(21)22)17-10-9-16(23)14-20(17)24/h6-10,13-14H,4-5,11-12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50127438
(1-(2-Oxo-5-phenethyl-1-propyl-2,3-dihydro-1H-benzo...)Show SMILES CCCN1c2ccccc2C(CCc2ccccc2)=NC(NC(=O)Nc2ccc(cc2)N2CCN(CC2)c2ccncc2)C1=O |c:20| Show InChI InChI=1S/C36H39N7O2/c1-2-22-43-33-11-7-6-10-31(33)32(17-12-27-8-4-3-5-9-27)39-34(35(43)44)40-36(45)38-28-13-15-29(16-14-28)41-23-25-42(26-24-41)30-18-20-37-21-19-30/h3-11,13-16,18-21,34H,2,12,17,22-26H2,1H3,(H2,38,40,45) | Reactome pathway
KEGG
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.920 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50058163
(Butyl-[2,5-dimethyl-7-(2,4,6-trimethyl-phenyl)-7H-...)Show SMILES CCCCN(CC)c1nc(C)nc2n(cc(C)c12)-c1c(C)cc(C)cc1C |(-10.62,2.69,;-9.29,3.46,;-7.95,2.7,;-6.62,3.48,;-5.28,2.71,;-3.95,3.49,;-3.96,5.03,;-5.27,1.17,;-6.6,.4,;-6.6,-1.14,;-7.94,-1.91,;-5.27,-1.91,;-3.92,-1.14,;-2.44,-1.61,;-1.54,-.35,;-2.46,.9,;-1.99,2.37,;-3.93,.41,;-1.96,-3.07,;-2.99,-4.22,;-4.49,-3.91,;-2.5,-5.68,;-.99,-5.99,;-.51,-7.46,;.03,-4.83,;-.46,-3.38,;.56,-2.22,)| Show InChI InChI=1S/C23H32N4/c1-8-10-11-26(9-2)22-20-18(6)14-27(23(20)25-19(7)24-22)21-16(4)12-15(3)13-17(21)5/h12-14H,8-11H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
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| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231916
(CHEMBL404351 | N-(cyclopropylmethyl)-1-(2-methoxy-...)Show SMILES CCCN(CC1CC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(14.99,5.95,;16.33,5.19,;16.34,3.65,;17.67,2.88,;19,3.66,;19,5.2,;19.77,6.53,;18.23,6.52,;17.68,1.34,;16.36,.57,;15.02,1.34,;16.35,-.97,;17.68,-1.74,;17.69,-3.28,;16.35,-4.05,;15.02,-3.28,;16.35,-5.59,;17.69,-6.36,;17.69,-7.9,;19.03,-5.58,;19.02,-4.04,;20.35,-3.27,;21.69,-4.03,;19.02,-.96,;20.34,-1.73,;21.7,-.96,;21.69,.59,;20.35,1.35,;19.02,.58,)| Show InChI InChI=1S/C26H32N2O/c1-6-13-28(16-20-11-12-20)26-19(4)27-25(21-9-7-8-10-22(21)26)24-18(3)14-17(2)15-23(24)29-5/h7-10,14-15,20H,6,11-13,16H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231921
(1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N,N-dipr...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(18.7,-17.27,;20.04,-16.5,;21.37,-17.27,;22.7,-16.5,;22.7,-14.96,;21.37,-14.19,;21.37,-12.65,;24.04,-17.26,;25.36,-16.49,;25.36,-14.95,;26.7,-17.26,;26.71,-18.81,;28.04,-19.58,;28.04,-21.12,;26.71,-21.89,;29.37,-21.89,;30.71,-21.11,;32.04,-21.88,;30.7,-19.57,;29.37,-18.8,;29.36,-17.26,;30.69,-16.49,;25.37,-19.58,;25.37,-21.11,;24.05,-21.88,;22.71,-21.11,;22.71,-19.58,;24.04,-18.81,)| Show InChI InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(20-11-9-10-12-21(20)25)23-18(4)15-17(3)16-22(23)28-6/h9-12,15-16H,7-8,13-14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231925
(CHEMBL253914 | N,N-bis(cyclopropylmethyl)-1-(2-met...)Show SMILES COc1cc(C)cc(C)c1-c1nc(C)c(N(CC2CC2)CC2CC2)c2ccccc12 |(33.37,-4.76,;32.04,-3.99,;30.71,-4.77,;30.71,-6.3,;29.38,-7.08,;29.38,-8.62,;28.04,-6.31,;28.04,-4.77,;26.71,-4,;29.38,-4,;29.37,-2.47,;28.04,-1.7,;28.04,-.15,;26.71,.62,;29.37,.62,;29.36,2.16,;30.69,2.93,;30.68,4.47,;31.45,5.8,;29.91,5.8,;28.02,2.92,;28.02,4.46,;28.78,5.79,;27.24,5.79,;30.71,-.15,;32.03,.63,;33.37,-.13,;33.38,-1.68,;32.03,-2.45,;30.71,-1.69,)| Show InChI InChI=1S/C27H32N2O/c1-17-13-18(2)25(24(14-17)30-4)26-22-7-5-6-8-23(22)27(19(3)28-26)29(15-20-9-10-20)16-21-11-12-21/h5-8,13-14,20-21H,9-12,15-16H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231907
(1-(2,4-bis(2,2-difluoroethyl)-6-methoxyphenyl)-3-m...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12 |(8.74,-42.13,;7.41,-42.91,;7.42,-44.45,;6.09,-45.22,;4.75,-44.46,;4.74,-42.92,;3.41,-42.16,;6.1,-46.76,;4.77,-47.53,;3.44,-46.77,;4.77,-49.08,;6.1,-49.85,;6.1,-51.38,;4.77,-52.15,;3.43,-51.38,;2.1,-52.15,;.77,-51.38,;2.1,-53.69,;4.77,-53.69,;6.1,-54.46,;6.11,-56,;4.78,-56.78,;3.44,-56.01,;4.78,-58.32,;7.44,-53.68,;7.43,-52.15,;8.76,-51.37,;10.1,-52.14,;7.44,-49.07,;8.76,-49.83,;10.11,-49.06,;10.1,-47.51,;8.76,-46.75,;7.44,-47.53,)| Show InChI InChI=1S/C27H32F4N2O/c1-5-11-33(12-6-2)27-17(3)32-26(20-9-7-8-10-21(20)27)25-19(16-24(30)31)13-18(15-23(28)29)14-22(25)34-4/h7-10,13-14,23-24H,5-6,11-12,15-16H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231927
(3-ethyl-1-(2-methoxy-4,6-dimethylphenyl)-N,N-dipro...)Show SMILES CCCN(CCC)c1c(CC)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(8.99,5.66,;7.66,4.88,;7.67,3.34,;6.34,2.57,;5,3.33,;4.99,4.87,;3.66,5.63,;6.34,1.03,;5.02,.26,;3.68,1.03,;2.35,.25,;5.02,-1.29,;6.35,-2.06,;6.35,-3.59,;5.02,-4.36,;3.68,-3.59,;5.02,-5.9,;6.35,-6.67,;6.36,-8.21,;7.69,-5.89,;7.68,-4.36,;9.01,-3.58,;10.35,-4.35,;7.69,-1.28,;9.01,-2.04,;10.36,-1.27,;10.35,.28,;9.01,1.04,;7.68,.26,)| Show InChI InChI=1S/C26H34N2O/c1-7-14-28(15-8-2)26-21-13-11-10-12-20(21)25(27-22(26)9-3)24-19(5)16-18(4)17-23(24)29-6/h10-13,16-17H,7-9,14-15H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231921
(1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N,N-dipr...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(18.7,-17.27,;20.04,-16.5,;21.37,-17.27,;22.7,-16.5,;22.7,-14.96,;21.37,-14.19,;21.37,-12.65,;24.04,-17.26,;25.36,-16.49,;25.36,-14.95,;26.7,-17.26,;26.71,-18.81,;28.04,-19.58,;28.04,-21.12,;26.71,-21.89,;29.37,-21.89,;30.71,-21.11,;32.04,-21.88,;30.7,-19.57,;29.37,-18.8,;29.36,-17.26,;30.69,-16.49,;25.37,-19.58,;25.37,-21.11,;24.05,-21.88,;22.71,-21.11,;22.71,-19.58,;24.04,-18.81,)| Show InChI InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(20-11-9-10-12-21(20)25)23-18(4)15-17(3)16-22(23)28-6/h9-12,15-16H,7-8,13-14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 12 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at CRF1 receptor expressed in mouse AtT20 cells assessed as inhibition of sauvagine-stimulated cAMP accumulation |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231919
(1-(4-(difluoromethoxy)-2-methoxyphenyl)-3-methyl-N...)Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(OC(F)F)cc2OC)c2ccccc12 Show InChI InChI=1S/C24H28F2N2O2/c1-5-13-28(14-6-2)23-16(3)27-22(18-9-7-8-10-19(18)23)20-12-11-17(30-24(25)26)15-21(20)29-4/h7-12,15,24H,5-6,13-14H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 17 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231930
(1-(4-chloro-2-methylphenyl)-3-methyl-N,N-dipropyli...)Show InChI InChI=1S/C23H27ClN2/c1-5-13-26(14-6-2)23-17(4)25-22(20-9-7-8-10-21(20)23)19-12-11-18(24)15-16(19)3/h7-12,15H,5-6,13-14H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 21 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231907
(1-(2,4-bis(2,2-difluoroethyl)-6-methoxyphenyl)-3-m...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(CC(F)F)cc(CC(F)F)cc2OC)c2ccccc12 |(8.74,-42.13,;7.41,-42.91,;7.42,-44.45,;6.09,-45.22,;4.75,-44.46,;4.74,-42.92,;3.41,-42.16,;6.1,-46.76,;4.77,-47.53,;3.44,-46.77,;4.77,-49.08,;6.1,-49.85,;6.1,-51.38,;4.77,-52.15,;3.43,-51.38,;2.1,-52.15,;.77,-51.38,;2.1,-53.69,;4.77,-53.69,;6.1,-54.46,;6.11,-56,;4.78,-56.78,;3.44,-56.01,;4.78,-58.32,;7.44,-53.68,;7.43,-52.15,;8.76,-51.37,;10.1,-52.14,;7.44,-49.07,;8.76,-49.83,;10.11,-49.06,;10.1,-47.51,;8.76,-46.75,;7.44,-47.53,)| Show InChI InChI=1S/C27H32F4N2O/c1-5-11-33(12-6-2)27-17(3)32-26(20-9-7-8-10-21(20)27)25-19(16-24(30)31)13-18(15-23(28)29)14-22(25)34-4/h7-10,13-14,23-24H,5-6,11-12,15-16H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at CRF1 receptor expressed in mouse AtT20 cells assessed as inhibition of sauvagine-stimulated cAMP accumulation |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231910
(1-(4-methoxy-2,6-dimethylphenyl)-3-methyl-N,N-dipr...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(OC)cc2C)c2ccccc12 |(23.41,-40.7,;22.08,-41.48,;22.09,-43.02,;20.76,-43.79,;19.42,-43.03,;19.42,-41.49,;18.08,-40.73,;20.77,-45.33,;19.44,-46.11,;18.11,-45.34,;19.44,-47.65,;20.77,-48.42,;20.78,-49.96,;22.11,-50.72,;23.44,-49.94,;22.11,-52.25,;20.78,-53.03,;20.78,-54.57,;19.45,-55.35,;19.44,-52.26,;19.44,-50.73,;18.11,-49.96,;22.11,-47.64,;23.43,-48.4,;24.78,-47.63,;24.77,-46.08,;23.44,-45.32,;22.11,-46.1,)| Show InChI InChI=1S/C25H32N2O/c1-7-13-27(14-8-2)25-19(5)26-24(21-11-9-10-12-22(21)25)23-17(3)15-20(28-6)16-18(23)4/h9-12,15-16H,7-8,13-14H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 26 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231909
(1-(4-methoxy-2-methylphenyl)-3-methyl-N,N-dipropyl...)Show InChI InChI=1S/C24H30N2O/c1-6-14-26(15-7-2)24-18(4)25-23(21-10-8-9-11-22(21)24)20-13-12-19(27-5)16-17(20)3/h8-13,16H,6-7,14-15H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 28 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231926
(1-(2,4-dimethyl-6-(2-morpholinoethoxy)phenyl)-3-me...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCOCC2)c2ccccc12 |(-4.87,-42.46,;-6.2,-43.24,;-6.19,-44.78,;-7.52,-45.55,;-8.86,-44.79,;-8.87,-43.25,;-10.21,-42.48,;-7.52,-47.09,;-8.84,-47.86,;-10.18,-47.09,;-8.84,-49.41,;-7.51,-50.18,;-7.51,-51.71,;-8.84,-52.48,;-10.18,-51.71,;-8.84,-54.02,;-7.51,-54.79,;-7.51,-56.33,;-6.17,-54.01,;-6.18,-52.48,;-4.85,-51.7,;-3.51,-52.47,;-2.18,-51.69,;-.84,-52.46,;-.85,-53.99,;.48,-54.76,;1.82,-53.99,;1.82,-52.45,;.48,-51.67,;-6.17,-49.4,;-4.85,-50.16,;-3.5,-49.39,;-3.51,-47.84,;-4.85,-47.08,;-6.18,-47.85,)| Show InChI InChI=1S/C30H41N3O2/c1-6-12-33(13-7-2)30-24(5)31-29(25-10-8-9-11-26(25)30)28-23(4)20-22(3)21-27(28)35-19-16-32-14-17-34-18-15-32/h8-11,20-21H,6-7,12-19H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231912
(1-(2-(2-(4-(dipropylamino)-3-methylisoquinolin-1-y...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCC(O)C2)c2ccccc12 |w:27.28,(26.97,-42.89,;25.64,-43.67,;25.65,-45.21,;24.32,-45.99,;22.98,-45.22,;22.98,-43.68,;21.64,-42.92,;24.33,-47.53,;23,-48.3,;21.67,-47.53,;23,-49.84,;24.33,-50.61,;24.34,-52.15,;23,-52.92,;21.67,-52.15,;23,-54.46,;24.34,-55.23,;24.34,-56.77,;25.67,-54.45,;25.67,-52.91,;27,-52.14,;28.33,-52.9,;29.66,-52.13,;31,-52.89,;31,-54.42,;32.33,-55.19,;33.66,-54.42,;33.66,-52.88,;34.99,-52.11,;32.32,-52.11,;25.67,-49.83,;26.99,-50.6,;28.34,-49.83,;28.33,-48.28,;27,-47.51,;25.67,-48.29,)| Show InChI InChI=1S/C31H43N3O2/c1-6-14-34(15-7-2)31-24(5)32-30(26-12-8-9-13-27(26)31)29-23(4)19-22(3)20-28(29)36-18-17-33-16-10-11-25(35)21-33/h8-9,12-13,19-20,25,35H,6-7,10-11,14-18,21H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231923
(1-(2-ethyl-4-methoxyphenyl)-3-methyl-N,N-dipropyli...)Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2CC)c2ccccc12 Show InChI InChI=1S/C25H32N2O/c1-6-15-27(16-7-2)25-18(4)26-24(22-11-9-10-12-23(22)25)21-14-13-20(28-5)17-19(21)8-3/h9-14,17H,6-8,15-16H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 36 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231924
(1-(2-(2-(4-(dipropylamino)-3-methylisoquinolin-1-y...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCC(O)CC2)c2ccccc12 |(11.5,-41.67,;10.17,-42.45,;10.18,-43.99,;8.85,-44.76,;7.51,-44,;7.51,-42.46,;6.17,-41.69,;8.86,-46.3,;7.53,-47.07,;6.2,-46.3,;7.53,-48.62,;8.86,-49.39,;8.87,-50.92,;7.53,-51.69,;6.2,-50.92,;7.53,-53.23,;8.87,-54,;8.87,-55.54,;10.2,-53.22,;10.2,-51.69,;11.53,-50.91,;12.86,-51.68,;14.2,-50.9,;15.53,-51.67,;15.53,-53.2,;16.86,-53.96,;18.19,-53.2,;19.53,-53.97,;18.19,-51.65,;16.86,-50.88,;10.2,-48.61,;11.52,-49.37,;12.87,-48.6,;12.86,-47.05,;11.53,-46.29,;10.2,-47.06,)| Show InChI InChI=1S/C31H43N3O2/c1-6-14-34(15-7-2)31-24(5)32-30(26-10-8-9-11-27(26)31)29-23(4)20-22(3)21-28(29)36-19-18-33-16-12-25(35)13-17-33/h8-11,20-21,25,35H,6-7,12-19H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 41 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231928
(1-(2,4-dimethoxyphenyl)-3-methyl-N,N-dipropylisoqu...)Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(OC)cc2OC)c2ccccc12 Show InChI InChI=1S/C24H30N2O2/c1-6-14-26(15-7-2)24-17(3)25-23(19-10-8-9-11-20(19)24)21-13-12-18(27-4)16-22(21)28-5/h8-13,16H,6-7,14-15H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 42 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231915
(1-(2-methoxy-4,6-dimethylphenyl)-N,N-dipropylisoqu...)Show SMILES CCCN(CCC)c1cnc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(-3.94,5.53,;-5.27,4.76,;-5.26,3.22,;-6.59,2.44,;-7.93,3.2,;-7.94,4.74,;-9.27,5.51,;-6.58,.9,;-7.91,.13,;-7.91,-1.42,;-6.58,-2.19,;-6.58,-3.72,;-7.91,-4.49,;-9.25,-3.72,;-7.91,-6.03,;-6.58,-6.8,;-6.57,-8.34,;-5.24,-6.02,;-5.25,-4.49,;-3.91,-3.71,;-2.58,-4.48,;-5.24,-1.41,;-3.92,-2.17,;-2.57,-1.4,;-2.58,.15,;-3.92,.91,;-5.24,.14,)| Show InChI InChI=1S/C24H30N2O/c1-6-12-26(13-7-2)21-16-25-24(20-11-9-8-10-19(20)21)23-18(4)14-17(3)15-22(23)27-5/h8-11,14-16H,6-7,12-13H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 49 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231905
(1-(2,4-dichlorophenyl)-3-methyl-N,N-dipropylisoqui...)Show SMILES CCCN(CCC)c1c(C)nc(-c2ccc(Cl)cc2Cl)c2ccccc12 Show InChI InChI=1S/C22H24Cl2N2/c1-4-12-26(13-5-2)22-15(3)25-21(17-8-6-7-9-18(17)22)19-11-10-16(23)14-20(19)24/h6-11,14H,4-5,12-13H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 103 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231906
(1-(2,4-dimethyl-6-(2-(piperidin-1-yl)ethoxy)phenyl...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCCC2)c2ccccc12 |(18.9,-27.83,;17.57,-28.6,;17.57,-30.14,;16.24,-30.92,;14.91,-30.16,;14.9,-28.62,;13.56,-27.85,;16.25,-32.46,;14.93,-33.23,;13.59,-32.46,;14.92,-34.77,;16.25,-35.54,;16.26,-37.08,;14.92,-37.85,;13.59,-37.08,;14.92,-39.39,;16.26,-40.16,;16.26,-41.7,;17.6,-39.38,;17.59,-37.84,;18.92,-37.07,;20.26,-37.83,;21.59,-37.06,;22.92,-37.82,;22.92,-39.36,;24.25,-40.12,;25.59,-39.35,;25.58,-37.81,;24.25,-37.04,;17.59,-34.77,;18.91,-35.53,;20.27,-34.76,;20.26,-33.21,;18.92,-32.45,;17.59,-33.22,)| Show InChI InChI=1S/C31H43N3O/c1-6-15-34(16-7-2)31-25(5)32-30(26-13-9-10-14-27(26)31)29-24(4)21-23(3)22-28(29)35-20-19-33-17-11-8-12-18-33/h9-10,13-14,21-22H,6-8,11-12,15-20H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 120 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231904
(1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N-propyl...)Show SMILES CCCNc1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(-3.83,-10.5,;-5.16,-11.28,;-5.15,-12.82,;-6.48,-13.59,;-6.47,-15.13,;-7.8,-15.91,;-9.13,-15.14,;-7.8,-17.45,;-6.47,-18.22,;-6.46,-19.76,;-7.8,-20.53,;-9.13,-19.76,;-7.8,-22.06,;-6.46,-22.83,;-6.46,-24.37,;-5.13,-22.06,;-5.13,-20.52,;-3.8,-19.74,;-2.47,-20.51,;-5.13,-17.44,;-3.81,-18.2,;-2.46,-17.43,;-2.47,-15.88,;-3.81,-15.12,;-5.13,-15.9,)| Show InChI InChI=1S/C22H26N2O/c1-6-11-23-21-16(4)24-22(18-10-8-7-9-17(18)21)20-15(3)12-14(2)13-19(20)25-5/h7-10,12-13,23H,6,11H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 165 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231908
(1-(2,4-dimethyl-6-(2-(pyrrolidin-1-yl)ethoxy)pheny...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCCC2)c2ccccc12 |(5.93,-26.92,;4.6,-27.7,;4.6,-29.24,;3.27,-30.01,;1.94,-29.25,;1.93,-27.71,;.59,-26.95,;3.28,-31.55,;1.96,-32.32,;.62,-31.55,;1.95,-33.87,;3.28,-34.64,;3.29,-36.17,;1.95,-36.94,;.62,-36.17,;1.95,-38.48,;3.29,-39.25,;3.29,-40.79,;4.63,-38.47,;4.62,-36.94,;5.95,-36.16,;7.29,-36.93,;8.62,-36.15,;9.95,-36.92,;10.13,-38.44,;11.64,-38.76,;12.4,-37.42,;11.37,-36.28,;4.62,-33.86,;5.94,-34.62,;7.3,-33.85,;7.29,-32.3,;5.95,-31.54,;4.62,-32.32,)| Show InChI InChI=1S/C30H41N3O/c1-6-14-33(15-7-2)30-24(5)31-29(25-12-8-9-13-26(25)30)28-23(4)20-22(3)21-27(28)34-19-18-32-16-10-11-17-32/h8-9,12-13,20-21H,6-7,10-11,14-19H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 173 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231918
(1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N-propyl...)Show SMILES CCCN(CCN1CCCC1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(14.6,-12.37,;15.93,-13.14,;15.94,-14.68,;17.28,-15.44,;18.61,-14.67,;18.6,-13.13,;19.93,-12.35,;21.34,-12.96,;22.36,-11.81,;21.59,-10.48,;20.08,-10.81,;17.29,-16.98,;15.96,-17.75,;14.63,-16.98,;15.96,-19.3,;17.29,-20.07,;17.29,-21.6,;15.96,-22.37,;14.62,-21.6,;15.96,-23.91,;17.29,-24.68,;17.3,-26.22,;18.63,-23.9,;18.62,-22.37,;19.96,-21.59,;21.29,-22.36,;18.63,-19.29,;19.95,-20.05,;21.3,-19.28,;21.29,-17.73,;19.95,-16.97,;18.63,-17.75,)| Show InChI InChI=1S/C28H37N3O/c1-6-13-31(17-16-30-14-9-10-15-30)28-22(4)29-27(23-11-7-8-12-24(23)28)26-21(3)18-20(2)19-25(26)32-5/h7-8,11-12,18-19H,6,9-10,13-17H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 215 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231922
(1-(2-(2-(dimethylamino)ethoxy)-4,6-dimethylphenyl)...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN(C)C)c2ccccc12 |(-5.67,-26.6,;-7,-27.38,;-7,-28.92,;-8.33,-29.7,;-9.66,-28.93,;-9.67,-27.39,;-11.01,-26.63,;-8.32,-31.24,;-9.65,-32.01,;-10.98,-31.24,;-9.65,-33.55,;-8.32,-34.32,;-8.31,-35.86,;-9.65,-36.63,;-10.98,-35.86,;-9.65,-38.17,;-8.31,-38.94,;-8.31,-40.48,;-6.97,-38.16,;-6.98,-36.62,;-5.65,-35.85,;-4.31,-36.61,;-2.98,-35.84,;-1.65,-36.6,;-.32,-35.83,;-1.64,-38.14,;-6.98,-33.54,;-5.66,-34.31,;-4.31,-33.54,;-4.32,-31.99,;-5.65,-31.23,;-6.98,-32,)| Show InChI InChI=1S/C28H39N3O/c1-8-14-31(15-9-2)28-22(5)29-27(23-12-10-11-13-24(23)28)26-21(4)18-20(3)19-25(26)32-17-16-30(6)7/h10-13,18-19H,8-9,14-17H2,1-7H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 265 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231917
(1-(2,4-dimethyl-6-(2-(4-methylpiperazin-1-yl)ethox...)Show SMILES CCCN(CCC)c1c(C)nc(-c2c(C)cc(C)cc2OCCN2CCN(C)CC2)c2ccccc12 |(31.72,-27.52,;30.39,-28.3,;30.4,-29.84,;29.07,-30.61,;27.73,-29.85,;27.73,-28.31,;26.39,-27.54,;29.08,-32.15,;27.75,-32.92,;26.42,-32.15,;27.75,-34.47,;29.08,-35.24,;29.09,-36.77,;27.75,-37.54,;26.42,-36.77,;27.75,-39.08,;29.09,-39.85,;29.09,-41.39,;30.42,-39.07,;30.42,-37.54,;31.75,-36.76,;33.08,-37.53,;34.41,-36.75,;35.75,-37.52,;35.75,-39.05,;37.08,-39.82,;38.41,-39.05,;39.75,-39.82,;38.41,-37.51,;37.07,-36.73,;30.42,-34.46,;31.74,-35.22,;33.09,-34.45,;33.08,-32.9,;31.75,-32.14,;30.42,-32.92,)| Show InChI InChI=1S/C31H44N4O/c1-7-13-35(14-8-2)31-25(5)32-30(26-11-9-10-12-27(26)31)29-24(4)21-23(3)22-28(29)36-20-19-34-17-15-33(6)16-18-34/h9-12,21-22H,7-8,13-20H2,1-6H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 524 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231903
(1-(4-chlorophenyl)-3-methyl-N,N-dipropylisoquinoli...)Show InChI InChI=1S/C22H25ClN2/c1-4-14-25(15-5-2)22-16(3)24-21(17-10-12-18(23)13-11-17)19-8-6-7-9-20(19)22/h6-13H,4-5,14-15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 962 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231911
(CHEMBL252301 | N-(2-(1H-imidazol-1-yl)ethyl)-1-(2-...)Show SMILES CCCN(CCn1ccnc1)c1c(C)nc(-c2c(C)cc(C)cc2OC)c2ccccc12 |(25.87,-11.85,;27.21,-12.62,;27.22,-14.16,;28.56,-14.92,;29.89,-14.14,;29.88,-12.6,;31.21,-11.83,;31.36,-10.29,;32.86,-9.96,;33.64,-11.29,;32.61,-12.44,;28.56,-16.46,;27.24,-17.23,;25.9,-16.46,;27.24,-18.78,;28.57,-19.55,;28.57,-21.08,;27.24,-21.85,;25.9,-21.08,;27.24,-23.39,;28.57,-24.16,;28.57,-25.7,;29.91,-23.38,;29.9,-21.84,;31.23,-21.07,;32.57,-21.84,;29.91,-18.77,;31.23,-19.53,;32.58,-18.76,;32.57,-17.21,;31.23,-16.45,;29.9,-17.22,)| Show InChI InChI=1S/C27H32N4O/c1-6-12-31(15-14-30-13-11-28-18-30)27-21(4)29-26(22-9-7-8-10-23(22)27)25-20(3)16-19(2)17-24(25)32-5/h7-11,13,16-18H,6,12,14-15H2,1-5H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.06E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50202412
(3-Chloro-3'-fluoro-4'-((R)-1-{[1-(2,2,2-trifluoro-...)Show SMILES COC(=O)c1c(Cl)cccc1-c1ccc([C@@H](C)NC(=O)C2(CC2)NC(=O)C(F)(F)F)c(F)c1 |r| Show InChI InChI=1S/C22H19ClF4N2O4/c1-11(28-19(31)21(8-9-21)29-20(32)22(25,26)27)13-7-6-12(10-16(13)24)14-4-3-5-15(23)17(14)18(30)33-2/h3-7,10-11H,8-9H2,1-2H3,(H,28,31)(H,29,32)/t11-/m1/s1 | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.60E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231914
(1-(2-chlorophenyl)-3-methyl-N,N-dipropylisoquinoli...)Show InChI InChI=1S/C22H25ClN2/c1-4-14-25(15-5-2)22-16(3)24-21(17-10-6-7-11-18(17)22)19-12-8-9-13-20(19)23/h6-13H,4-5,14-15H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.69E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231920
(3-methyl-1-phenyl-N,N-dipropylisoquinolin-4-amine ...)Show InChI InChI=1S/C22H26N2/c1-4-15-24(16-5-2)22-17(3)23-21(18-11-7-6-8-12-18)19-13-9-10-14-20(19)22/h6-14H,4-5,15-16H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231913
(1-(2-methoxy-4,6-dimethylphenyl)-3-methyl-N-(2-(py...)Show SMILES COc1cc(C)cc(C)c1-c1nc(C)c(NCCN2CCCC2)c2ccccc12 |(9.33,-21.15,;7.99,-20.38,;6.66,-21.16,;6.67,-22.7,;5.33,-23.48,;5.34,-25.02,;4,-22.7,;4,-21.17,;2.66,-20.4,;5.33,-20.4,;5.33,-18.86,;4,-18.09,;4,-16.55,;2.67,-15.78,;5.33,-15.78,;5.32,-14.24,;6.65,-13.46,;6.64,-11.92,;7.97,-11.14,;9.38,-11.76,;10.4,-10.61,;9.63,-9.28,;8.12,-9.6,;6.67,-16.54,;7.99,-15.76,;9.33,-16.52,;9.34,-18.08,;7.99,-18.84,;6.67,-18.08,)| Show InChI InChI=1S/C25H31N3O/c1-17-15-18(2)23(22(16-17)29-4)25-21-10-6-5-9-20(21)24(19(3)27-25)26-11-14-28-12-7-8-13-28/h5-6,9-10,15-16,26H,7-8,11-14H2,1-4H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Corticotropin-releasing factor receptor 1
(Homo sapiens (Human)) | BDBM50231929
(1-(3-chlorophenyl)-3-methyl-N,N-dipropylisoquinoli...)Show InChI InChI=1S/C22H25ClN2/c1-4-13-25(14-5-2)22-16(3)24-21(17-9-8-10-18(23)15-17)19-11-6-7-12-20(19)22/h6-12,15H,4-5,13-14H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Displacement of [125I]sauvagine from CRF1 receptor expressed in human IMR32 cells |
Bioorg Med Chem Lett 18: 891-6 (2008)
Article DOI: 10.1016/j.bmcl.2007.12.050
BindingDB Entry DOI: 10.7270/Q28S4PPS |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315610
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C19H10F6N6/c20-18(21,22)10-3-5-11(6-4-10)30-16-15-17(29-9-28-16)31-13(8-27-15)14-12(19(23,24)25)2-1-7-26-14/h1-9H,(H,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315616
(3-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-14-7-9-28-18-17(14)29-10-15(31-18)16-13(20(24,25)26)2-1-8-27-16/h1-10H,(H,28,30,31) | PDB
MMDB
Reactome pathway
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 |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315608
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(cnc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-3-5-13(6-4-12)31-18-17-15(29-10-30-18)8-11(9-28-17)16-14(20(24,25)26)2-1-7-27-16/h1-10H,(H,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| n/a | n/a | 0.630 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(RAT) | BDBM50264141
(1-Benzyl-1H-benzoimidazole-2-carboxylic acid {2-[6...)Show SMILES O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(nc1)C1=NCCN1 |t:34| Show InChI InChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34) | Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| n/a | n/a | 0.800 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at rat bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315609
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3nc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-5-12(6-4-11)30-17-13-7-8-15(31-18(13)29-10-28-17)16-14(20(24,25)26)2-1-9-27-16/h1-10H,(H,28,29,30,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.830 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50273167
((5-Trifluoromethylpyridin-2-yl)-[7-(3-trifluoromet...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)12-4-6-16(28-9-12)31-18-13-5-3-11(8-15(13)29-10-30-18)17-14(20(24,25)26)2-1-7-27-17/h1-10H,(H,28,29,30,31) | PDB
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| n/a | n/a | 0.850 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM20557
(AMG 517 | CHEMBL229430 | JMC503515 Compound 23 | N...)Show SMILES CC(=O)Nc1nc2c(Oc3cc(ncn3)-c3ccc(cc3)C(F)(F)F)cccc2s1 Show InChI InChI=1S/C20H13F3N4O2S/c1-11(28)26-19-27-18-15(3-2-4-16(18)30-19)29-17-9-14(24-10-25-17)12-5-7-13(8-6-12)20(21,22)23/h2-10H,1H3,(H,26,27,28) | PDB
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PubMed
| n/a | n/a | 0.900 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human TRPV1 |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50191726
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31) | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human TRPV1 |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50191726
((4-Trifluoromethylphenyl)-[7-(3-trifluoromethylpyr...)Show SMILES FC(F)(F)c1ccc(Nc2ncnc3cc(ccc23)-c2ncccc2C(F)(F)F)cc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-14(7-5-13)31-19-15-8-3-12(10-17(15)29-11-30-19)18-16(21(25,26)27)2-1-9-28-18/h1-11H,(H,29,30,31) | PDB
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| n/a | n/a | 1.10 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50272850
(2-(methoxymethyl)-N-(4-(trifluoromethyl)phenyl)-7-...)Show SMILES COCc1nc(Nc2ccc(cc2)C(F)(F)F)c2ccc(cc2n1)-c1ncccc1C(F)(F)F Show InChI InChI=1S/C23H16F6N4O/c1-34-12-19-32-18-11-13(20-17(23(27,28)29)3-2-10-30-20)4-9-16(18)21(33-19)31-15-7-5-14(6-8-15)22(24,25)26/h2-11H,12H2,1H3,(H,31,32,33) | PDB
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| n/a | n/a | 1.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human TRPV1 |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315612
(7-[3-(Trifluoromethyl)pyridin-2-yl]-N-[5-(trifluor...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3cc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C21H12F6N4/c22-20(23,24)13-4-6-18(30-11-13)31-16-7-9-28-17-10-12(3-5-14(16)17)19-15(21(25,26)27)2-1-8-29-19/h1-11H,(H,28,30,31) | PDB
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| n/a | n/a | 1.65 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Homo sapiens (Human)) | BDBM50264189
(5-(2-chlorobenzamido)-4-methyl-N-(2-(1-(1-methylpi...)Show SMILES CN1CCC(CC1)N1CCC(CCNC(=O)c2n[nH]c(NC(=O)c3ccccc3Cl)c2C)CC1 Show InChI InChI=1S/C25H35ClN6O2/c1-17-22(29-30-23(17)28-24(33)20-5-3-4-6-21(20)26)25(34)27-12-7-18-8-15-32(16-9-18)19-10-13-31(2)14-11-19/h3-6,18-19H,7-16H2,1-2H3,(H,27,34)(H2,28,29,30,33) | PDB
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| n/a | n/a | 1.80 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Inhibition of human bradykinin B1 receptor |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
B1 bradykinin receptor
(Macaca fascicularis) | BDBM50264141
(1-Benzyl-1H-benzoimidazole-2-carboxylic acid {2-[6...)Show SMILES O=C(CCNC(=O)c1nc2ccccc2n1Cc1ccccc1)Nc1ccc(nc1)C1=NCCN1 |t:34| Show InChI InChI=1S/C26H25N7O2/c34-23(31-19-10-11-21(30-16-19)24-27-14-15-28-24)12-13-29-26(35)25-32-20-8-4-5-9-22(20)33(25)17-18-6-2-1-3-7-18/h1-11,16H,12-15,17H2,(H,27,28)(H,29,35)(H,31,34) | PDB
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| n/a | n/a | 2 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at Cynomolgus monkey bradykinin B1 receptor expressed in CHO cells assessed as calcium transient by FLIPR assay |
Bioorg Med Chem Lett 18: 5027-31 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.014
BindingDB Entry DOI: 10.7270/Q2NG4QDX |
More data for this
Ligand-Target Pair | |
Transient receptor potential cation channel subfamily V member 1
(Homo sapiens (Human)) | BDBM50315615
(7-(3-(trifluoromethyl)pyridin-2-yl)-N-(5-(trifluor...)Show SMILES FC(F)(F)c1ccc(Nc2ccnc3nc(ccc23)-c2ncccc2C(F)(F)F)nc1 Show InChI InChI=1S/C20H11F6N5/c21-19(22,23)11-3-6-16(29-10-11)30-14-7-9-28-18-12(14)4-5-15(31-18)17-13(20(24,25)26)2-1-8-27-17/h1-10H,(H,28,29,30,31) | PDB
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| n/a | n/a | 2.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Neurogen Corporation
Curated by ChEMBL
| Assay Description
Antagonist activity at human recombinant TRPV1 expressed in HEK293 cells assessed as inhibition of capsazepine-induced calcium mobilization by FLIPR ... |
J Med Chem 53: 3330-48 (2010)
Article DOI: 10.1021/jm100051g
BindingDB Entry DOI: 10.7270/Q2474BTP |
More data for this
Ligand-Target Pair | |
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