Found 3012 hits with Last Name = 'rau' and Initial = 's' 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 |
|---|
Endothelin-1 receptor
(Homo sapiens (Human)) | BDBM50143784
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...)Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.0300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 1262-70 (1999)
BindingDB Entry DOI: 10.7270/Q2Q52N5Q |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50200169
(6-methyl-1-(2',4'-dichlorophenyl)-N-piperidin-1-yl...)Show SMILES Cc1ccc-2c(Cc3c(nn(c-23)-c2ccc(Cl)cc2Cl)C(=O)NN2CCCCC2)c1 Show InChI InChI=1S/C23H22Cl2N4O/c1-14-5-7-17-15(11-14)12-18-21(23(30)27-28-9-3-2-4-10-28)26-29(22(17)18)20-8-6-16(24)13-19(20)25/h5-8,11,13H,2-4,9-10,12H2,1H3,(H,27,30) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.0370 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Binding affinity to CB2 receptor (unknown origin) |
Eur J Med Chem 82: 281-92 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50399614
(CHEMBL2181170)Show InChI InChI=1S/C21H24FN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Caen Basse-Normandie
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human 5HT4R by Cerep protocol based assay |
J Med Chem 55: 9693-707 (2012)
Article DOI: 10.1021/jm300943r
BindingDB Entry DOI: 10.7270/Q2ZC8417 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50399614
(CHEMBL2181170)Show InChI InChI=1S/C21H24FN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Caen Basse-Normandie
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human 5HT4R by Cerep protocol based assay |
J Med Chem 55: 9693-707 (2012)
Article DOI: 10.1021/jm300943r
BindingDB Entry DOI: 10.7270/Q2ZC8417 |
More data for this
Ligand-Target Pair | |
Endothelin receptor type B
(Homo sapiens (Human)) | BDBM50143784
((5S,6R,7R)-5-Benzo[1,3]dioxol-5-yl-2-butyl-7-[2-((...)Show SMILES CCCCc1ccc2[C@@H]([C@H]([C@@H](c2n1)c1ccc(OC)cc1C[C@H](C)C(O)=O)C(O)=O)c1ccc2OCOc2c1 Show InChI InChI=1S/C31H33NO7/c1-4-5-6-20-8-10-23-26(18-7-12-24-25(15-18)39-16-38-24)28(31(35)36)27(29(23)32-20)22-11-9-21(37-3)14-19(22)13-17(2)30(33)34/h7-12,14-15,17,26-28H,4-6,13,16H2,1-3H3,(H,33,34)(H,35,36)/t17-,26-,27-,28+/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Banyu Pharmaceutical Co., Ltd.
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 289: 1262-70 (1999)
BindingDB Entry DOI: 10.7270/Q2Q52N5Q |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50406007
(CHEMBL418293)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=C(F)C(C)(CF)Nc12 |t:18| Show InChI InChI=1S/C18H21F2N5O/c1-9-12-5-10(4-11-7-23-17(22)24-16(11)21)6-13(26-3)14(12)25-18(2,8-19)15(9)20/h5-7,25H,4,8H2,1-3H3,(H4,21,22,23,24) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Apparent binding affinity of compound in Escherichia coli DHFR |
J Med Chem 32: 1942-9 (1989)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2G73FX0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50399621
(CHEMBL2181166)Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.230 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Caen Basse-Normandie
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human 5HT4R by Cerep protocol based assay |
J Med Chem 55: 9693-707 (2012)
Article DOI: 10.1021/jm300943r
BindingDB Entry DOI: 10.7270/Q2ZC8417 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50399622
(CHEMBL2181168)Show InChI InChI=1S/C21H24IN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.260 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Caen Basse-Normandie
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human 5HT4R by Cerep protocol based assay |
J Med Chem 55: 9693-707 (2012)
Article DOI: 10.1021/jm300943r
BindingDB Entry DOI: 10.7270/Q2ZC8417 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(Homo sapiens (Human)) | BDBM50180022
(5-(4-chloro-3-methyl-phenyl)-1-(4-methyl-benzyl)-1...)Show SMILES Cc1ccc(Cn2nc(cc2-c2ccc(Cl)c(C)c2)C(=O)NC2C3(C)CCC(C3)C2(C)C)cc1 |THB:21:22:26.25:28| Show InChI InChI=1S/C29H34ClN3O/c1-18-6-8-20(9-7-18)17-33-25(21-10-11-23(30)19(2)14-21)15-24(32-33)26(34)31-27-28(3,4)22-12-13-29(27,5)16-22/h6-11,14-15,22,27H,12-13,16-17H2,1-5H3,(H,31,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55,940 from CB2 receptor (unknown origin) |
Eur J Med Chem 82: 281-92 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50406005
(CHEMBL60827)Show SMILES CC1=CC(C)(C)Nc2c1cc(Cc1cnc(N)nc1N)c1cccnc21 |t:1| Show InChI InChI=1S/C20H22N6/c1-11-9-20(2,3)26-17-15(11)8-12(14-5-4-6-23-16(14)17)7-13-10-24-19(22)25-18(13)21/h4-6,8-10,26H,7H2,1-3H3,(H4,21,22,24,25) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Apparent binding affinity of compound in Escherichia coli DHFR |
J Med Chem 32: 1942-9 (1989)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2G73FX0 |
More data for this
Ligand-Target Pair | |
Metabotropic glutamate receptor 5
(Rattus norvegicus (Rat)) | BDBM50084137
(2-Methyl-6-(phenylethynyl)pyridine | 2-Methyl-6-ph...)Show InChI InChI=1S/C14H11N/c1-12-6-5-9-14(15-12)11-10-13-7-3-2-4-8-13/h2-9H,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by PDSP Ki Database
| |
Life Sci 73: 371-9 (2003)
Article DOI: 10.1016/s0024-3205(03)00272-8
BindingDB Entry DOI: 10.7270/Q2KD1WHW |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50406006
(CHEMBL418492)Show SMILES COc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12 |c:18| Show InChI InChI=1S/C18H23N5O/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-9,23H,5H2,1-4H3,(H4,19,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Apparent binding affinity against Dihydrofolate reductase in Escherichia coli |
J Med Chem 32: 1942-9 (1989)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2G73FX0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316673
(5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-22-18-20-4-2-10-30-27(20)26(19-22)34-16-14-32(15-17-34)21-8-12-33(13-9-21)25-7-6-24(29)23-5-3-11-31-28(23)25/h2-7,10-11,18-19,21H,8-9,12-17H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316677
(6-Methoxy-8-{4-[1-(8-quinolinyl)-4-piperidinyl]-1-...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H31N5O/c1-34-24-19-22-7-4-12-30-28(22)26(20-24)33-17-15-31(16-18-33)23-9-13-32(14-10-23)25-8-2-5-21-6-3-11-29-27(21)25/h2-8,11-12,19-20,23H,9-10,13-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302220
(7-((1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-...)Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(COc5cccc6[nH]c(=O)oc56)CC4)Cc3c2c1 Show InChI InChI=1S/C26H28FN3O3/c27-18-5-7-22-20(13-18)19-12-17(4-6-21(19)28-22)14-30-10-8-16(9-11-30)15-32-24-3-1-2-23-25(24)33-26(31)29-23/h1-3,5,7,13,16-17,28H,4,6,8-12,14-15H2,(H,29,31) | PDB
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM50406011
(CHEMBL300545)Show SMILES CSc1cc(Cc2cnc(N)nc2N)cc2C(C)=CC(C)(C)Nc12 |c:18| Show InChI InChI=1S/C18H23N5S/c1-10-8-18(2,3)23-15-13(10)6-11(7-14(15)24-4)5-12-9-21-17(20)22-16(12)19/h6-9,23H,5H2,1-4H3,(H4,19,20,21,22) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.430 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Apparent binding affinity of compound in Escherichia coli DHFR |
J Med Chem 32: 1942-9 (1989)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2G73FX0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316680
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(C)cnc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-17-22-5-3-7-26(28(22)31-20-21)33-11-8-24(9-12-33)32-13-15-34(16-14-32)27-19-25(35-2)18-23-6-4-10-30-29(23)27/h3-7,10,17-20,24H,8-9,11-16H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.460 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316684
(3,5-Difluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piper...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(F)cnc23)c2ncccc2c1 Show InChI InChI=1S/C28H29F2N5O/c1-36-22-15-19-3-2-8-31-27(19)26(17-22)35-13-11-33(12-14-35)21-6-9-34(10-7-21)25-5-4-24(30)23-16-20(29)18-32-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316688
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(C)nc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-8-9-22-5-3-7-26(29(22)31-21)33-13-10-24(11-14-33)32-15-17-34(18-16-32)27-20-25(35-2)19-23-6-4-12-30-28(23)27/h3-9,12,19-20,24H,10-11,13-18H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.540 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316682
(6-Bromo-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin-...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(Br)cc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30BrN5O/c1-35-24-17-21-5-3-9-31-28(21)26(19-24)34-14-12-32(13-15-34)23-6-10-33(11-7-23)25-18-22(29)16-20-4-2-8-30-27(20)25/h2-5,8-9,16-19,23H,6-7,10-15H2,1H3 | PDB
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antibodypedia
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UniChem
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| Article
PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316690
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)ccnc23)c2ncccc2c1 Show InChI InChI=1S/C29H33N5O/c1-21-8-12-31-29-25(21)6-3-7-26(29)33-13-9-23(10-14-33)32-15-17-34(18-16-32)27-20-24(35-2)19-22-5-4-11-30-28(22)27/h3-8,11-12,19-20,23H,9-10,13-18H2,1-2H3 | PDB
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UniChem
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| Article
PubMed
| 0.610 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316678
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(C)cc(C)nc23)c2ncccc2c1 Show InChI InChI=1S/C30H35N5O/c1-21-18-22(2)32-30-26(21)7-4-8-27(30)34-12-9-24(10-13-34)33-14-16-35(17-15-33)28-20-25(36-3)19-23-6-5-11-31-29(23)28/h4-8,11,18-20,24H,9-10,12-17H2,1-3H3 | PDB
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UniChem
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| Article
PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316679
(3-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(F)cnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-24-17-21-5-3-9-30-28(21)26(18-24)34-14-12-32(13-15-34)23-7-10-33(11-8-23)25-6-2-4-20-16-22(29)19-31-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3 | PDB
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UniChem
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PubMed
| 0.790 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316683
(5-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3cc(cnc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C29H29F4N5O/c1-39-22-15-19-3-2-8-34-27(19)26(17-22)38-13-11-36(12-14-38)21-6-9-37(10-7-21)25-5-4-24(30)23-16-20(29(31,32)33)18-35-28(23)25/h2-5,8,15-18,21H,6-7,9-14H2,1H3 | PDB
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| Article
PubMed
| 0.870 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM86708
(CAS_146714-97-8 | CHEMBL31354 | CHEMBL514874 | CHE...)Show SMILES COc1ccccc1N1CCN(CCN(C(=O)C2CCCCC2)c2ccccn2)CC1 Show InChI InChI=1S/C25H34N4O2/c1-31-23-12-6-5-11-22(23)28-18-15-27(16-19-28)17-20-29(24-13-7-8-14-26-24)25(30)21-9-3-2-4-10-21/h5-8,11-14,21H,2-4,9-10,15-20H2,1H3 | PDB
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PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302225
((1S)-1-[3-(dimethylamino)propyl]-1-(4-fluorophenyl...)Show SMILES CN(C)CCC[C@]1(OCc2cc(ccc12)C#N)c1ccc(F)cc1 |r| Show InChI InChI=1S/C20H21FN2O/c1-23(2)11-3-10-20(17-5-7-18(21)8-6-17)19-9-4-15(13-22)12-16(19)14-24-20/h4-9,12H,3,10-11,14H2,1-2H3/t20-/m0/s1 | PDB
KEGG
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| DrugBank
PDB
Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316686
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3cc(cnc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C29H30F3N5O/c1-38-24-17-21-5-3-9-33-28(21)26(18-24)37-14-12-35(13-15-37)23-7-10-36(11-8-23)25-6-2-4-20-16-22(29(30,31)32)19-34-27(20)25/h2-6,9,16-19,23H,7-8,10-15H2,1H3 | PDB
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PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50399623
(CHEMBL2181169)Show InChI InChI=1S/C22H25IN2O/c1-2-12-25-13-10-16(11-14-25)15-26-22-19-7-4-3-6-17(19)18-8-5-9-20(23)21(18)24-22/h3-9,16H,2,10-15H2,1H3 | PDB
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| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Caen Basse-Normandie
Curated by ChEMBL
| Assay Description
Displacement of radioligand from human 5HT4R by Cerep protocol based assay |
J Med Chem 55: 9693-707 (2012)
Article DOI: 10.1021/jm300943r
BindingDB Entry DOI: 10.7270/Q2ZC8417 |
More data for this
Ligand-Target Pair | |
Dihydrofolate reductase
(Escherichia coli) | BDBM18069
(5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-d...)Show InChI InChI=1S/C14H18N4O3/c1-19-10-5-8(6-11(20-2)12(10)21-3)4-9-7-17-14(16)18-13(9)15/h5-7H,4H2,1-3H3,(H4,15,16,17,18) | MMDB
NCI pathway
Reactome pathway
KEGG
UniProtKB/TrEMBL
B.MOAD
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| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wellcome Research Laboratories
Curated by ChEMBL
| Assay Description
Apparent binding affinity against Dihydrofolate reductase in Escherichia coli |
J Med Chem 32: 1942-9 (1989)
Checked by Author
BindingDB Entry DOI: 10.7270/Q2G73FX0 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(GUINEA PIG) | BDBM50293279
(1-Methyl-5-[(1-propylpiperidin-4-yl)methyloxy]-pyr...)Show InChI InChI=1S/C19H25N3OS/c1-3-8-21-10-6-15(7-11-21)12-23-18-16-5-4-9-22(16)17-14(2)13-24-19(17)20-18/h4-5,9,13,15H,3,6-8,10-12H2,1-2H3 | PDB
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| CHEMBL
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UniChem
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| Article
PubMed
| 1.74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Caen
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR-113808 from 5HT4 receptor in guinea pig striatum membrane |
Bioorg Med Chem 17: 2607-22 (2009)
Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316685
(8-{4-[4-(6-Methoxyquinolin-8-yl)piperazin-1-yl]pip...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3ccc(nc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C29H30F3N5O/c1-38-23-18-21-5-3-11-33-27(21)25(19-23)37-16-14-35(15-17-37)22-9-12-36(13-10-22)24-6-2-4-20-7-8-26(29(30,31)32)34-28(20)24/h2-8,11,18-19,22H,9-10,12-17H2,1H3 | PDB
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PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50302213
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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| CHEMBL
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UniChem
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Agonist activity at 5-HT2A receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316681
(5-Fluoro-4-methoxy-8-{4-[4-(6-methoxyquinolin-8-yl...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2ccc(F)c3c(OC)cc(nc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C30H31F4N5O2/c1-40-21-16-19-4-3-9-35-28(19)24(17-21)39-14-12-37(13-15-39)20-7-10-38(11-8-20)23-6-5-22(31)27-25(41-2)18-26(30(32,33)34)36-29(23)27/h3-6,9,16-18,20H,7-8,10-15H2,1-2H3 | PDB
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UniChem
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| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 2A
(Homo sapiens (Human)) | BDBM50302213
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Agonist activity at 5-HT2A receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316687
(4-Methoxy-8-{4-[4-(6-methoxyquinolin-8-yl)piperazi...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cccc3c(OC)cc(nc23)C(F)(F)F)c2ncccc2c1 Show InChI InChI=1S/C30H32F3N5O2/c1-39-22-17-20-5-4-10-34-28(20)25(18-22)38-15-13-36(14-16-38)21-8-11-37(12-9-21)24-7-3-6-23-26(40-2)19-27(30(31,32)33)35-29(23)24/h3-7,10,17-19,21H,8-9,11-16H2,1-2H3 | PDB
UniProtKB/SwissProt
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 2.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(GUINEA PIG) | BDBM50399614
(CHEMBL2181170)Show InChI InChI=1S/C21H24FN3O/c1-2-11-25-12-8-15(9-13-25)14-26-21-17-6-4-10-23-19(17)16-5-3-7-18(22)20(16)24-21/h3-7,10,15H,2,8-9,11-14H2,1H3 | PDB
UniProtKB/SwissProt
GoogleScholar
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| CHEMBL
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PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Caen Basse-Normandie
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes |
J Med Chem 55: 9693-707 (2012)
Article DOI: 10.1021/jm300943r
BindingDB Entry DOI: 10.7270/Q2ZC8417 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50020597
(CHEMBL3290447)Show SMILES CC(C)[C@@H]1CC[C@@H](C)C[C@H]1NC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c3ccc(C)cc3oc12 |r| Show InChI InChI=1S/C27H29Cl2N3O2/c1-14(2)18-8-5-15(3)11-21(18)30-27(33)24-26-25(19-9-6-16(4)12-23(19)34-26)32(31-24)22-10-7-17(28)13-20(22)29/h6-7,9-10,12-15,18,21H,5,8,11H2,1-4H3,(H,30,33)/t15-,18+,21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis |
Eur J Med Chem 82: 281-92 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50277511
(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1 | PDB
Reactome pathway
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human NK3 receptor |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50277511
(3-[(3aR,4R,5S,7aS)-5-{(1R)-1-[3,5-Bis(trifluoromet...)Show SMILES C[C@@H](O[C@H]1CC[C@@H]2CN(C[C@H]2[C@@H]1c1ccc(F)cc1)C1=CC(=O)CC1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |r,t:22| Show InChI InChI=1S/C29H28F7NO2/c1-16(19-10-20(28(31,32)33)12-21(11-19)29(34,35)36)39-26-9-4-18-14-37(23-7-8-24(38)13-23)15-25(18)27(26)17-2-5-22(30)6-3-17/h2-3,5-6,10-13,16,18,25-27H,4,7-9,14-15H2,1H3/t16-,18-,25-,26+,27+/m1/s1 | PDB
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| 2.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Binding affinity to human NK2 receptor |
J Med Chem 52: 3039-46 (2009)
Article DOI: 10.1021/jm8016514
BindingDB Entry DOI: 10.7270/Q2FX79BT |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50020600
(CHEMBL3290450)Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)N[C@H]1C2(C)CCC(C2)C1(C)C |r| Show InChI InChI=1S/C27H27Cl2N3O2/c1-14-5-7-17-20(11-14)34-23-21(31-32(22(17)23)19-8-6-16(28)12-18(19)29)24(33)30-25-26(2,3)15-9-10-27(25,4)13-15/h5-8,11-12,15,25H,9-10,13H2,1-4H3,(H,30,33)/t15?,25-,27?/m1/s1 | PDB
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Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis |
Eur J Med Chem 82: 281-92 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(GUINEA PIG) | BDBM50399621
(CHEMBL2181166)Show SMILES Fc1cccc2c1nc(OCC1CCN(CCCc3ccc(I)cc3)CC1)c1cccnc21 Show InChI InChI=1S/C27H27FIN3O/c28-24-7-1-5-22-25-23(6-2-14-30-25)27(31-26(22)24)33-18-20-12-16-32(17-13-20)15-3-4-19-8-10-21(29)11-9-19/h1-2,5-11,14,20H,3-4,12-13,15-18H2 | PDB
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| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Caen Basse-Normandie
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from 5HT4R in guinea pig striatal membranes |
J Med Chem 55: 9693-707 (2012)
Article DOI: 10.1021/jm300943r
BindingDB Entry DOI: 10.7270/Q2ZC8417 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 3A
(Homo sapiens (Human)) | BDBM50108392
((3-ENDO)-8-METHYL-8-AZABICYCLO[3.2.1]OCT-3-YL 1H-I...)Show SMILES CN1[C@H]2CC[C@@H]1C[C@@H](C2)OC(=O)c1c[nH]c2ccccc12 |r,THB:9:7:4.3:1| Show InChI InChI=1S/C17H20N2O2/c1-19-11-6-7-12(19)9-13(8-11)21-17(20)15-10-18-16-5-3-2-4-14(15)16/h2-5,10-13,18H,6-9H2,1H3/t11-,12+,13+ | PDB
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| 2.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Caen
Curated by ChEMBL
| Assay Description
Binding affinity at 5HT3 receptor |
Bioorg Med Chem 17: 2607-22 (2009)
Article DOI: 10.1016/j.bmc.2008.11.045
BindingDB Entry DOI: 10.7270/Q2CJ8DCG |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
5-hydroxytryptamine receptor 4
(GUINEA PIG) | BDBM50122716
(5-(Piperidin-4-ylmethoxy)-9-propyl-1,2,3,4-tetrahy...)Show InChI InChI=1S/C21H29N3O/c1-2-12-24-13-9-16(10-14-24)15-25-21-18-7-5-11-22-20(18)17-6-3-4-8-19(17)23-21/h3-4,6,8,16,22H,2,5,7,9-15H2,1H3 | PDB
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| 2.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Université de Caen
Curated by ChEMBL
| Assay Description
Ability to displace [3H]GR-113808 from 5-hydroxytryptamine 4 receptor |
J Med Chem 46: 138-47 (2002)
Article DOI: 10.1021/jm020954v
BindingDB Entry DOI: 10.7270/Q2J67G8P |
More data for this
Ligand-Target Pair | |
Sodium-dependent serotonin transporter
(Homo sapiens (Human)) | BDBM50302218
(7-(1-((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-3-y...)Show SMILES Fc1ccc2[nH]c3CCC(CN4CCC(CC4)Oc4cccc5[nH]c(=O)oc45)Cc3c2c1 Show InChI InChI=1S/C25H26FN3O3/c26-16-5-7-21-19(13-16)18-12-15(4-6-20(18)27-21)14-29-10-8-17(9-11-29)31-23-3-1-2-22-24(23)32-25(30)28-22/h1-3,5,7,13,15,17,27H,4,6,8-12,14H2,(H,28,30) | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]citalopram from human serotonin transporter expressed in HEK293 cells by scintillation proximity assay |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM21398
(4-[4-(4-Chloro-phenyl)-4-hydroxy-piperidin-1-yl]-1...)Show SMILES OC1(CCN(CCCC(=O)c2ccc(F)cc2)CC1)c1ccc(Cl)cc1 Show InChI InChI=1S/C21H23ClFNO2/c22-18-7-5-17(6-8-18)21(26)11-14-24(15-12-21)13-1-2-20(25)16-3-9-19(23)10-4-16/h3-10,26H,1-2,11-15H2 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302213
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
D(2) dopamine receptor
(Homo sapiens (Human)) | BDBM50302213
((3S)-3-(((6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-...)Show SMILES Fc1ccc2[nH]c3CCC(CNC[C@H]4COc5c6CC(=O)Nc6ccc5O4)Cc3c2c1 |r| Show InChI InChI=1S/C24H24FN3O3/c25-14-2-4-20-17(8-14)16-7-13(1-3-19(16)27-20)10-26-11-15-12-30-24-18-9-23(29)28-21(18)5-6-22(24)31-15/h2,4-6,8,13,15,26-27H,1,3,7,9-12H2,(H,28,29)/t13?,15-/m0/s1 | PDB
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| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Wyeth Research
Curated by ChEMBL
| Assay Description
Displacement of [3H]spiperone from D2 receptor |
Bioorg Med Chem Lett 19: 5552-5 (2009)
Article DOI: 10.1016/j.bmcl.2009.08.050
BindingDB Entry DOI: 10.7270/Q2Z89DCC |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 4
(Homo sapiens (Human)) | BDBM50399619
(CHEMBL2181189)Show InChI InChI=1S/C22H25FN2O/c1-2-12-25-13-10-16(11-14-25)15-26-22-19-7-4-3-6-17(19)18-8-5-9-20(23)21(18)24-22/h3-9,16H,2,10-15H2,1H3 | PDB
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| 3.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Caen Basse-Normandie
Curated by ChEMBL
| Assay Description
Displacement of [3H]GR113808 from human recombinant 5HT4R expressed in HEK293T cells |
J Med Chem 55: 9693-707 (2012)
Article DOI: 10.1021/jm300943r
BindingDB Entry DOI: 10.7270/Q2ZC8417 |
More data for this
Ligand-Target Pair | |
5-hydroxytryptamine receptor 1A
(Homo sapiens (Human)) | BDBM50316675
(6-Fluoro-8-{4-[4-(6-methoxyquinolin-8-yl)piperazin...)Show SMILES COc1cc(N2CCN(CC2)C2CCN(CC2)c2cc(F)cc3cccnc23)c2ncccc2c1 Show InChI InChI=1S/C28H30FN5O/c1-35-24-17-21-5-3-9-31-28(21)26(19-24)34-14-12-32(13-15-34)23-6-10-33(11-7-23)25-18-22(29)16-20-4-2-8-30-27(20)25/h2-5,8-9,16-19,23H,6-7,10-15H2,1H3 | PDB
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| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Displacement of [3H]8-OH-DPAT from human 5HT1A receptor expressed in CHO cells |
J Med Chem 53: 4066-84 (2010)
Article DOI: 10.1021/jm1000908
BindingDB Entry DOI: 10.7270/Q28P60P7 |
More data for this
Ligand-Target Pair | |
Cannabinoid receptor 2
(MOUSE) | BDBM50020599
(CHEMBL3290449)Show SMILES Cc1ccc2c(c1)oc1c(nn(-c3ccc(Cl)cc3Cl)c21)C(=O)N[C@H]1CC2CC[C@]1(C)C2(C)C |r| Show InChI InChI=1S/C27H27Cl2N3O2/c1-14-5-7-17-20(11-14)34-24-22(31-32(23(17)24)19-8-6-16(28)13-18(19)29)25(33)30-21-12-15-9-10-27(21,4)26(15,2)3/h5-8,11,13,15,21H,9-10,12H2,1-4H3,(H,30,33)/t15?,21-,27-/m0/s1 | PDB
Reactome pathway
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| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ di Sassari
Curated by ChEMBL
| Assay Description
Displacement of [3H]-CP-55,940 from CB2 receptor in CD1 mouse spleen homogenate after 1 hr by liquid scintillation counting analysis |
Eur J Med Chem 82: 281-92 (2014)
Article DOI: 10.1016/j.ejmech.2014.05.055
BindingDB Entry DOI: 10.7270/Q2D2206G |
More data for this
Ligand-Target Pair | |
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