Found 832 hits with Last Name = 'yi' and Initial = 'b' 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 |
|---|
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212159
(2-(4-isopropylphenyl)-3-(4-(2-(piperidin-1-yl)etho...)Show SMILES CC(C)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H33NO3S/c1-21(2)22-6-8-23(9-7-22)30-29(27-15-10-24(32)20-28(27)35-30)34-26-13-11-25(12-14-26)33-19-18-31-16-4-3-5-17-31/h6-15,20-21,32H,3-5,16-19H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0910 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50212148
(6-(3-fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)...)Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1 Show InChI InChI=1S/C29H28FNO3/c30-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-31-15-2-1-3-16-31/h4-14,19-20,32H,1-3,15-18H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.160 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212148
(6-(3-fluorophenyl)-5-(4-(2-(piperidin-1-yl)ethoxy)...)Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(F)c1 Show InChI InChI=1S/C29H28FNO3/c30-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-31-15-2-1-3-16-31/h4-14,19-20,32H,1-3,15-18H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.180 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212157
(6-(3,4-difluorophenyl)-5-(4-(2-(piperidin-1-yl)eth...)Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H27F2NO3/c30-27-13-5-21(19-28(27)31)25-11-4-20-18-22(33)6-12-26(20)29(25)35-24-9-7-23(8-10-24)34-17-16-32-14-2-1-3-15-32/h4-13,18-19,33H,1-3,14-17H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383163
(CHEMBL2031885)Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C(=O)N1CCCC1 |r| Show InChI InChI=1S/C27H33N3O2/c1-20-5-4-15-28(20)17-18-30-16-12-24-19-23(10-11-25(24)27(30)32)21-6-8-22(9-7-21)26(31)29-13-2-3-14-29/h6-11,19-20H,2-5,12-18H2,1H3/t20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212149
(6-(3-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...)Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H29NO4/c31-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-30-15-2-1-3-16-30/h4-14,19-20,31-32H,1-3,15-18H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.210 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM19967
(6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...)Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212160
(3-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...)Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(c1)C#N Show InChI InChI=1S/C30H28N2O3/c31-21-22-5-4-6-23(19-22)28-13-7-24-20-25(33)8-14-29(24)30(28)35-27-11-9-26(10-12-27)34-18-17-32-15-2-1-3-16-32/h4-14,19-20,33H,1-3,15-18H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.240 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM19967
(6-(4-fluorophenyl)-5-{4-[2-(piperidin-1-yl)ethoxy]...)Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)cc1 Show InChI InChI=1S/C29H28FNO3/c30-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-31-16-2-1-3-17-31/h4-15,20,32H,1-3,16-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.280 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50212157
(6-(3,4-difluorophenyl)-5-(4-(2-(piperidin-1-yl)eth...)Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1ccc(F)c(F)c1 Show InChI InChI=1S/C29H27F2NO3/c30-27-13-5-21(19-28(27)31)25-11-4-20-18-22(33)6-12-26(20)29(25)35-24-9-7-23(8-10-24)34-17-16-32-14-2-1-3-15-32/h4-13,18-19,33H,1-3,14-17H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.290 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383144
(CHEMBL2031864)Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(nc3)C#N)ccc2C1=O |r| Show InChI InChI=1S/C22H24N4O2/c1-16-3-2-9-25(16)11-12-26-10-8-17-13-19(6-7-21(17)22(26)27)28-20-5-4-18(14-23)24-15-20/h4-7,13,15-16H,2-3,8-12H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM50610205
(CHEMBL5268764) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212147
(6-(4-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...)Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H29NO4/c31-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-30-16-2-1-3-17-30/h4-15,20,31-32H,1-3,16-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.320 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50212160
(3-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...)Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)-c1cccc(c1)C#N Show InChI InChI=1S/C30H28N2O3/c31-21-22-5-4-6-23(19-22)28-13-7-24-20-25(33)8-14-29(24)30(28)35-27-11-9-26(10-12-27)34-18-17-32-15-2-1-3-16-32/h4-14,19-20,33H,1-3,15-18H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.350 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50212149
(6-(3-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...)Show SMILES Oc1cccc(c1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H29NO4/c31-23-6-4-5-21(19-23)27-13-7-22-20-24(32)8-14-28(22)29(27)34-26-11-9-25(10-12-26)33-18-17-30-15-2-1-3-16-30/h4-14,19-20,31-32H,1-3,15-18H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.360 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50354216
(CHEMBL1836004)Show SMILES Cc1nc2ccccc2n1-c1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C23H26N4O/c1-17-24-21-6-2-3-7-22(21)27(17)19-10-8-18(9-11-19)23(28)26-15-12-20(16-26)25-13-4-5-14-25/h2-3,6-11,20H,4-5,12-16H2,1H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)alpha-methylhistamine from human histamine H3 receptor expressed in human HEK293T cells |
Bioorg Med Chem Lett 21: 5957-60 (2011)
Article DOI: 10.1016/j.bmcl.2011.07.061
BindingDB Entry DOI: 10.7270/Q2QN6753 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50610205
(CHEMBL5268764) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-1
(Homo sapiens (Human)) | BDBM50144861
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212153
(4-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...)Show SMILES CN(C)S(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C31H34N2O5S/c1-32(2)39(35,36)28-14-6-23(7-15-28)29-16-8-24-22-25(34)9-17-30(24)31(29)38-27-12-10-26(11-13-27)37-21-20-33-18-4-3-5-19-33/h6-17,22,34H,3-5,18-21H2,1-2H3 | PDB
UniProtKB/SwissProt
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 |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50354216
(CHEMBL1836004)Show SMILES Cc1nc2ccccc2n1-c1ccc(cc1)C(=O)N1CC[C@@H](C1)N1CCCC1 |r| Show InChI InChI=1S/C23H26N4O/c1-17-24-21-6-2-3-7-22(21)27(17)19-10-8-18(9-11-19)23(28)26-15-12-20(16-26)25-13-4-5-14-25/h2-3,6-11,20H,4-5,12-16H2,1H3/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
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 Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM19966
(6-(4-methanesulfonylphenyl)-5-{4-[2-(piperidin-1-y...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H31NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5-16,21,32H,2-4,17-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.470 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50212147
(6-(4-hydroxyphenyl)-5-(4-(2-(piperidin-1-yl)ethoxy...)Show SMILES Oc1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H29NO4/c31-23-7-4-21(5-8-23)27-14-6-22-20-24(32)9-15-28(22)29(27)34-26-12-10-25(11-13-26)33-19-18-30-16-2-1-3-17-30/h4-15,20,31-32H,1-3,16-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212155
(2-(4-(ethylsulfonyl)phenyl)-3-(4-(2-(piperidin-1-y...)Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C29H31NO5S2/c1-2-37(32,33)25-13-6-21(7-14-25)29-28(26-15-8-22(31)20-27(26)36-29)35-24-11-9-23(10-12-24)34-19-18-30-16-4-3-5-17-30/h6-15,20,31H,2-5,16-19H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.480 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
GABA-A receptor; alpha-5/beta-3/gamma-2
(Homo sapiens (Human)) | BDBM50605870
(CHEMBL5196475) | PDB
KEGG
UniProtKB/SwissProt
antibodypedia
antibodypedia
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
| Article
PubMed
| 0.490 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
Article DOI: 10.1021/acs.jmedchem.2c00414
BindingDB Entry DOI: 10.7270/Q2DV1Q01 |
More data for this
Ligand-Target Pair | |
Gamma-aminobutyric acid receptor subunit alpha-5
(Homo sapiens (Human)) | BDBM50144861
(3-(5-Methyl-isoxazol-3-yl)-6-(pyridin-2-ylmethoxy)...)Show InChI InChI=1S/C19H14N6O2/c1-12-10-16(24-27-12)18-22-21-17-14-7-2-3-8-15(14)19(23-25(17)18)26-11-13-6-4-5-9-20-13/h2-10H,11H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| | 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
| |
Citation and Details
|
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212158
(4-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C32H34N2O4/c1-33(2)32(36)24-8-6-23(7-9-24)29-16-10-25-22-26(35)11-17-30(25)31(29)38-28-14-12-27(13-15-28)37-21-20-34-18-4-3-5-19-34/h6-17,22,35H,3-5,18-21H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 0.570 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383142
(CHEMBL2031862)Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(cc3)C#N)ccc2C1=O |r| Show InChI InChI=1S/C23H25N3O2/c1-17-3-2-11-25(17)13-14-26-12-10-19-15-21(8-9-22(19)23(26)27)28-20-6-4-18(16-24)5-7-20/h4-9,15,17H,2-3,10-14H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50212159
(2-(4-isopropylphenyl)-3-(4-(2-(piperidin-1-yl)etho...)Show SMILES CC(C)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H33NO3S/c1-21(2)22-6-8-23(9-7-22)30-29(27-15-10-24(32)20-28(27)35-30)34-26-13-11-25(12-14-26)33-19-18-31-16-4-3-5-17-31/h6-15,20-21,32H,3-5,16-19H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM19447
(2-(4-methanesulfonylphenyl)-3-{4-[2-(piperidin-1-y...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1sc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C28H29NO5S2/c1-36(31,32)24-12-5-20(6-13-24)28-27(25-14-7-21(30)19-26(25)35-28)34-23-10-8-22(9-11-23)33-18-17-29-15-3-2-4-16-29/h5-14,19,30H,2-4,15-18H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.630 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Histone-lysine N-methyltransferase EZH2
(Homo sapiens (Human)) | BDBM50193709
(CHEMBL3911017)Show SMILES Cc1noc(C)c1-c1cc(Cl)c2CCN(Cc3c(C)cc(C)[nH]c3=O)C(=O)c2c1Cl |(59.06,-26.01,;58.74,-27.52,;59.77,-28.66,;59,-30,;57.5,-29.68,;56.35,-30.71,;57.33,-28.15,;55.99,-27.38,;54.66,-28.14,;53.34,-27.37,;52.01,-28.14,;53.35,-25.85,;52.02,-25.09,;52.02,-23.55,;53.35,-22.77,;53.35,-21.23,;52.02,-20.46,;52.02,-18.92,;53.36,-18.16,;50.7,-18.15,;49.36,-18.92,;48.03,-18.14,;49.35,-20.46,;50.69,-21.24,;50.69,-22.78,;54.68,-23.55,;56.01,-22.79,;54.68,-25.09,;55.99,-25.86,;57.33,-25.09,)| Show InChI InChI=1S/C22H21Cl2N3O3/c1-10-7-11(2)25-21(28)16(10)9-27-6-5-14-17(23)8-15(20(24)19(14)22(27)29)18-12(3)26-30-13(18)4/h7-8H,5-6,9H2,1-4H3,(H,25,28) | PDB
KEGG
UniProtKB/SwissProt
B.MOAD
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
PDB
UniChem
Similars
| PDB
Article
PubMed
| 0.700 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Inhibition of wild-type EZH2 (unknown origin) expressed in baculovirus infected SF9 cells co-expressing SUZ12/EED/RbAp48 complex using HeLa cells der... |
J Med Chem 59: 8306-25 (2016)
Article DOI: 10.1021/acs.jmedchem.6b00515
BindingDB Entry DOI: 10.7270/Q2J1053B |
More data for this
Ligand-Target Pair |
3D Structure (crystal) |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212150
(6-(4-(isopropylsulfonyl)phenyl)-5-(4-(2-(piperidin...)Show SMILES CC(C)S(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C32H35NO5S/c1-23(2)39(35,36)29-14-6-24(7-15-29)30-16-8-25-22-26(34)9-17-31(25)32(30)38-28-12-10-27(11-13-28)37-21-20-33-18-4-3-5-19-33/h6-17,22-23,34H,3-5,18-21H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.730 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383138
(CHEMBL2031762)Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C23H25N3O/c1-17-3-2-11-25(17)13-14-26-12-10-21-15-20(8-9-22(21)23(26)27)19-6-4-18(16-24)5-7-19/h4-9,15,17H,2-3,10-14H2,1H3/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383167
(CHEMBL2031741)Show SMILES O=C1N(CCN2CCCC2)CCc2cc(ccc12)-n1cnc2ccccc12 Show InChI InChI=1S/C22H24N4O/c27-22-19-8-7-18(26-16-23-20-5-1-2-6-21(20)26)15-17(19)9-12-25(22)14-13-24-10-3-4-11-24/h1-2,5-8,15-16H,3-4,9-14H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.800 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383153
(CHEMBL2031874)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C24H29N3O2/c1-25(2)23(28)19-7-5-18(6-8-19)20-9-10-22-21(17-20)11-14-27(24(22)29)16-15-26-12-3-4-13-26/h5-10,17H,3-4,11-16H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.900 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383161
(CHEMBL2031883)Show SMILES CNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r| Show InChI InChI=1S/C24H29N3O2/c1-17-4-3-12-26(17)14-15-27-13-11-21-16-20(9-10-22(21)24(27)29)18-5-7-19(8-6-18)23(28)25-2/h5-10,16-17H,3-4,11-15H2,1-2H3,(H,25,28)/t17-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383162
(CHEMBL2031884)Show SMILES CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCC[C@H]3C)CCc2c1 |r| Show InChI InChI=1S/C25H31N3O2/c1-3-26-24(29)20-8-6-19(7-9-20)21-10-11-23-22(17-21)12-14-28(25(23)30)16-15-27-13-4-5-18(27)2/h6-11,17-18H,3-5,12-16H2,1-2H3,(H,26,29)/t18-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212152
(6-(1,1-dioxo-1,2,3,6-tetrahydro-1lambda*6*-thiopyr...)Show SMILES Oc1ccc2c(Oc3ccc(OCCN4CCCCC4)cc3)c(ccc2c1)C1=CCS(=O)(=O)CC1 |t:31| Show InChI InChI=1S/C28H31NO5S/c30-23-5-11-27-22(20-23)4-10-26(21-12-18-35(31,32)19-13-21)28(27)34-25-8-6-24(7-9-25)33-17-16-29-14-2-1-3-15-29/h4-12,20,30H,1-3,13-19H2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.03 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212151
(6-(4-(methylsulfonyl)cyclohex-1-enyl)-5-(4-(2-(pip...)Show SMILES CS(=O)(=O)C1CCC(=CC1)c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 |w:4.3,c:7| Show InChI InChI=1S/C30H35NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5,7-12,15-16,21,27,32H,2-4,6,13-14,17-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.09 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM50212158
(4-(6-hydroxy-1-(4-(2-(piperidin-1-yl)ethoxy)phenox...)Show SMILES CN(C)C(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C32H34N2O4/c1-33(2)32(36)24-8-6-23(7-9-24)29-16-10-25-22-26(35)11-17-30(25)31(29)38-28-14-12-27(13-15-28)37-21-20-34-18-4-3-5-19-34/h6-17,22,35H,3-5,18-21H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 1.16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Kappa-type opioid receptor
(Cavia porcellus (domestic guinea pig)) | BDBM50021498
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:49:48:32:53.36.35,THB:9:8:16:4.5.6| Show InChI InChI=1S/C44H54N4O8/c49-29-7-5-25-19-31-43(53)13-11-27(39-41(43,35(25)37(29)55-39)15-17-47(31)21-23-1-2-23)45-33(51)9-10-34(52)46-28-12-14-44(54)32-20-26-6-8-30(50)38-36(26)42(44,40(28)56-38)16-18-48(32)22-24-3-4-24/h5-8,23-24,27-28,31-32,39-40,49-50,53-54H,1-4,9-22H2,(H,45,51)(H,46,52)/t27-,28-,31?,32?,39+,40+,41?,42?,43-,44-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-DADLE from Opioid receptor kappa 1 in guinea pig brain membrane |
J Med Chem 29: 1855-61 (1986)
BindingDB Entry DOI: 10.7270/Q21Z43DQ |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383136
(CHEMBL2031760)Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(ccc2C1=O)-c1ccc(F)cc1 |r| Show InChI InChI=1S/C22H25FN2O/c1-16-3-2-11-24(16)13-14-25-12-10-19-15-18(6-9-21(19)22(25)26)17-4-7-20(23)8-5-17/h4-9,15-16H,2-3,10-14H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383149
(CHEMBL2031869)Show SMILES CCNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C24H29N3O2/c1-2-25-23(28)19-7-5-18(6-8-19)20-9-10-22-21(17-20)11-14-27(24(22)29)16-15-26-12-3-4-13-26/h5-10,17H,2-4,11-16H2,1H3,(H,25,28) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383143
(CHEMBL2031863)Show SMILES C[C@@H]1CCCN1CCN1CCc2cc(Oc3ccc(cn3)C#N)ccc2C1=O |r| Show InChI InChI=1S/C22H24N4O2/c1-16-3-2-9-25(16)11-12-26-10-8-18-13-19(5-6-20(18)22(26)27)28-21-7-4-17(14-23)15-24-21/h4-7,13,15-16H,2-3,8-12H2,1H3/t16-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Estrogen receptor
(Homo sapiens (Human)) | BDBM50212156
(6-(4-(ethylsulfonyl)phenyl)-5-(4-(2-(piperidin-1-y...)Show SMILES CCS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C31H33NO5S/c1-2-38(34,35)28-14-6-23(7-15-28)29-16-8-24-22-25(33)9-17-30(24)31(29)37-27-12-10-26(11-13-27)36-21-20-32-18-4-3-5-19-32/h6-17,22,33H,2-5,18-21H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.22 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERalpha |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383158
(CHEMBL2031879)Show SMILES Fc1cc(ccc1C(=O)N1CCCC1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C26H30FN3O2/c27-24-18-20(6-8-23(24)26(32)29-12-3-4-13-29)19-5-7-22-21(17-19)9-14-30(25(22)31)16-15-28-10-1-2-11-28/h5-8,17-18H,1-4,9-16H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50383148
(CHEMBL2031868)Show SMILES CNC(=O)c1ccc(cc1)-c1ccc2C(=O)N(CCN3CCCC3)CCc2c1 Show InChI InChI=1S/C23H27N3O2/c1-24-22(27)18-6-4-17(5-7-18)19-8-9-21-20(16-19)10-13-26(23(21)28)15-14-25-11-2-3-12-25/h4-9,16H,2-3,10-15H2,1H3,(H,24,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Inc.
Curated by ChEMBL
| Assay Description
Displacement of [3H]-(R)-alpha-methylhistamine from human H3 receptor expressed in HEK293T cells after 120 mins by scintillation counting |
J Med Chem 55: 2452-68 (2012)
Article DOI: 10.1021/jm300011d
BindingDB Entry DOI: 10.7270/Q2736RZR |
More data for this
Ligand-Target Pair | |
Estrogen receptor beta
(Homo sapiens (Human)) | BDBM19966
(6-(4-methanesulfonylphenyl)-5-{4-[2-(piperidin-1-y...)Show SMILES CS(=O)(=O)c1ccc(cc1)-c1ccc2cc(O)ccc2c1Oc1ccc(OCCN2CCCCC2)cc1 Show InChI InChI=1S/C30H31NO5S/c1-37(33,34)27-13-5-22(6-14-27)28-15-7-23-21-24(32)8-16-29(23)30(28)36-26-11-9-25(10-12-26)35-20-19-31-17-3-2-4-18-31/h5-16,21,32H,2-4,17-20H2,1H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Similars
| Article
PubMed
| 1.32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Lilly Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]estradiol from human recombinant ERbeta |
Bioorg Med Chem Lett 17: 3544-9 (2007)
Article DOI: 10.1016/j.bmcl.2007.04.044
BindingDB Entry DOI: 10.7270/Q2ZS2W6F |
More data for this
Ligand-Target Pair | |
Type-1 angiotensin II receptor
(Homo sapiens (Human)) | BDBM50291668
(CHEMBL4160691)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](N)CO)C(C)C)[C@@H](C)CC)C(O)=O |r| Show InChI InChI=1S/C46H73N13O11/c1-7-25(5)36(43(67)55-33(20-28-21-50-23-52-28)44(68)59-18-10-12-34(59)41(65)58-37(45(69)70)26(6)8-2)57-40(64)32(19-27-13-15-29(61)16-14-27)54-42(66)35(24(3)4)56-39(63)31(11-9-17-51-46(48)49)53-38(62)30(47)22-60/h13-16,21,23-26,30-37,60-61H,7-12,17-20,22,47H2,1-6H3,(H,50,52)(H,53,62)(H,54,66)(H,55,67)(H,56,63)(H,57,64)(H,58,65)(H,69,70)(H4,48,49,51)/t25-,26-,30-,31-,32-,33-,34-,35-,36-,37-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Bahcesehir University (BAU)
Curated by ChEMBL
| Assay Description
Displacement of [125I-Sar1-Ile8]-Ang2 from human angiotensin 2 receptor type 1 receptor expressed in HEK293 cells after 1 hr by gamma counting analys... |
Eur J Med Chem 145: 273-290 (2018)
Article DOI: 10.1016/j.ejmech.2017.12.021
BindingDB Entry DOI: 10.7270/Q2639S81 |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50021500
(1N-[4-cyclopropylmethyl-10,17-dihydroxy-(13R,14R,1...)Show SMILES [H][C@@]12Oc3c4c(C[C@@]5([H])N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(C)=O)ccc3O |r,THB:10:9:4.5.6:17| Show InChI InChI=1S/C22H28N2O4/c1-12(25)23-15-6-7-22(27)17-10-14-4-5-16(26)19-18(14)21(22,20(15)28-19)8-9-24(17)11-13-2-3-13/h4-5,13,15,17,20,26-27H,2-3,6-11H2,1H3,(H,23,25)/t15-,17-,20+,21+,22-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane |
J Med Chem 29: 1855-61 (1986)
BindingDB Entry DOI: 10.7270/Q21Z43DQ |
More data for this
Ligand-Target Pair | |
Mu-type opioid receptor
(GUINEA PIG) | BDBM50021495
(1N,4N-di[4-cyclopropylmethyl-10,17-dihydroxy-(13R,...)Show SMILES [H][C@@]12Oc3c4c(C[C@H]5N(CC6CC6)CC[C@@]14[C@@]5(O)CC[C@H]2NC(=O)CNC(=O)CNC(=O)CCC(=O)NCC(=O)NCC(=O)N[C@@H]1CC[C@@]2(O)[C@H]4Cc5ccc(O)c6O[C@]1([H])[C@]2(CCN4CC1CC1)c56)ccc3O |TLB:65:64:48:69.52.51,THB:9:8:16:4.5.6| Show InChI InChI=1S/C52H66N8O12/c61-33-7-5-29-19-35-51(69)13-11-31(47-49(51,43(29)45(33)71-47)15-17-59(35)25-27-1-2-27)57-41(67)23-55-39(65)21-53-37(63)9-10-38(64)54-22-40(66)56-24-42(68)58-32-12-14-52(70)36-20-30-6-8-34(62)46-44(30)50(52,48(32)72-46)16-18-60(36)26-28-3-4-28/h5-8,27-28,31-32,35-36,47-48,61-62,69-70H,1-4,9-26H2,(H,53,63)(H,54,64)(H,55,65)(H,56,66)(H,57,67)(H,58,68)/t31-,32-,35?,36?,47+,48+,49?,50?,51-,52-/m1/s1 | PDB
UniProtKB/SwissProt
B.MOAD
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Displacement of [3H]-naloxone from Opioid receptor mu 1 in guinea pig brain membrane |
J Med Chem 29: 1855-61 (1986)
BindingDB Entry DOI: 10.7270/Q21Z43DQ |
More data for this
Ligand-Target Pair | |
Search and Browse
