Found 1287 hits with Last Name = 'vaccaro' and Initial = 'h' 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 |
|---|
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50264895
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...)Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Antagonist activity at human histamine H3 receptor expressed in HEK293 cells assessed as reversal of N-alpha-methylhistamine-induced inhibition of fo... |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343977
((2R,3R)-2,3-dihydroxy-4-(isoindolin-2-yl)-4-oxo-N-...)Show SMILES O[C@H]([C@@H](O)C(=O)N1Cc2ccccc2C1)C(=O)NCc1ccc(Cn2c(nc3ccccc23)C(F)(F)F)s1 |r| Show InChI InChI=1S/C26H23F3N4O4S/c27-26(28,29)25-31-19-7-3-4-8-20(19)33(25)14-18-10-9-17(38-18)11-30-23(36)21(34)22(35)24(37)32-12-15-5-1-2-6-16(15)13-32/h1-10,21-22,34-35H,11-14H2,(H,30,36)/t21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343976
((2R,3R)-2,3-dihydroxy-4-(isoindolin-2-yl)-N-((5-((...)Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2Cc3ccccc3C2)s1 |r| Show InChI InChI=1S/C26H26N4O4S/c1-16-28-21-8-4-5-9-22(21)30(16)15-20-11-10-19(35-20)12-27-25(33)23(31)24(32)26(34)29-13-17-6-2-3-7-18(17)14-29/h2-11,23-24,31-32H,12-15H2,1H3,(H,27,33)/t23-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065428
(CHEMBL3401350)Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cc(F)cc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H29FN4O2/c1-15(2)24(4)13-21(30)29(23(26)28-24)14-17-10-19(12-20(25)11-17)22(31)27-16(3)18-8-6-5-7-9-18/h5-12,15-16H,13-14H2,1-4H3,(H2,26,28)(H,27,31)/t16-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin (unknown origin) |
Bioorg Med Chem Lett 25: 1592-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.003
BindingDB Entry DOI: 10.7270/Q2X63PMJ |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(Homo sapiens (Human)) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.600 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Arg8-vasopressin from human vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter |
Bioorg Med Chem Lett 19: 6018-22 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50342963
((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...)Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C25H27ClN4O4/c1-16(17-8-10-20(11-9-17)30-14-4-12-27-30)28-24(33)22(31)23(32)25(34)29-13-3-7-21(29)18-5-2-6-19(26)15-18/h2,4-6,8-12,14-16,21-23,31-32H,3,7,13H2,1H3,(H,28,33)/t16-,21-,22-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 0.860 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Vasopressin V1b receptor
(RAT) | BDBM50299343
((2S,4R)-1-((R)-5-chloro-1-(2,4-dimethoxyphenylsulf...)Show SMILES COc1ccc(c(OC)c1)S(=O)(=O)N1C(=O)[C@@](N2C[C@H](O)C[C@H]2C(=O)N(C)C)(c2cc(Cl)ccc12)c1ccccc1OC |r| Show InChI InChI=1S/C30H32ClN3O8S/c1-32(2)28(36)24-15-19(35)17-33(24)30(21-8-6-7-9-25(21)41-4)22-14-18(31)10-12-23(22)34(29(30)37)43(38,39)27-13-11-20(40-3)16-26(27)42-5/h6-14,16,19,24,35H,15,17H2,1-5H3/t19-,24+,30+/m1/s1 | UniProtKB/SwissProt
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| Purchase
CHEMBL
MCE
PC cid
PC sid
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| Article
PubMed
| 1 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]Arg8-vasopressin from rat vasopressin V1b receptor expressed in CHO-K1 cells by Packard Topcount scintillation counter |
Bioorg Med Chem Lett 19: 6018-22 (2009)
Article DOI: 10.1016/j.bmcl.2009.09.050
BindingDB Entry DOI: 10.7270/Q2J9679W |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50264895
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...)Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50264934
(5-fluoro-2-(pyridin-2-yl)-1-(4-(3-(pyrrolidin-1-yl...)Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCC2)cc1 Show InChI InChI=1S/C25H25FN4O/c26-19-7-12-24-23(18-19)28-25(22-6-1-2-13-27-22)30(24)20-8-10-21(11-9-20)31-17-5-16-29-14-3-4-15-29/h1-2,6-13,18H,3-5,14-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
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antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50265014
(1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)Show SMILES OC1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1 Show InChI InChI=1S/C26H27FN4O2/c27-19-5-10-25-24(18-19)29-26(23-4-1-2-13-28-23)31(25)20-6-8-22(9-7-20)33-17-3-14-30-15-11-21(32)12-16-30/h1-2,4-10,13,18,21,32H,3,11-12,14-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
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| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Mus musculus) | BDBM50264895
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-2...)Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCC2)cc1 Show InChI InChI=1S/C26H27FN4O/c27-20-8-13-25-24(19-20)29-26(23-7-2-3-14-28-23)31(25)21-9-11-22(12-10-21)32-18-6-17-30-15-4-1-5-16-30/h2-3,7-14,19H,1,4-6,15-18H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 1.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Binding affinity to mouse histamine H3 receptor |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50264932
(1-(4-(3-(4-benzylpiperidin-1-yl)propoxy)phenyl)-5-...)Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCC(Cc3ccccc3)CC2)cc1 Show InChI InChI=1S/C33H33FN4O/c34-27-10-15-32-31(24-27)36-33(30-9-4-5-18-35-30)38(32)28-11-13-29(14-12-28)39-22-6-19-37-20-16-26(17-21-37)23-25-7-2-1-3-8-25/h1-5,7-15,18,24,26H,6,16-17,19-23H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343975
((2R,3R)-4-((R)-2-(2-aminothiazol-4-yl)pyrrolidin-1...)Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2csc(N)n2)s1 |r| Show InChI InChI=1S/C25H28N6O4S2/c1-14-28-17-5-2-3-6-19(17)31(14)12-16-9-8-15(37-16)11-27-23(34)21(32)22(33)24(35)30-10-4-7-20(30)18-13-36-25(26)29-18/h2-3,5-6,8-9,13,20-22,32-33H,4,7,10-12H2,1H3,(H2,26,29)(H,27,34)/t20-,21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065395
(CHEMBL3401345)Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)N2CC(CC2=O)c2cccc(Cl)c2)C(=N)N1 |r| Show InChI InChI=1S/C25H29ClN4O2/c1-16(2)25(3)13-23(32)30(24(27)28-25)14-17-6-4-9-21(10-17)29-15-19(12-22(29)31)18-7-5-8-20(26)11-18/h4-11,16,19H,12-15H2,1-3H3,(H2,27,28)/t19?,25-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| 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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin (unknown origin) |
Bioorg Med Chem Lett 25: 1592-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.003
BindingDB Entry DOI: 10.7270/Q2X63PMJ |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343984
((2R,3R)-N-(((3S)-1-(2-cyanophenyl)-3-methylpiperid...)Show SMILES C[C@@H]1CN(CCC1CNC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)c1ccccc1C#N |r| Show InChI InChI=1S/C28H34N4O4/c1-19-18-31(23-11-6-5-10-21(23)16-29)15-13-22(19)17-30-27(35)25(33)26(34)28(36)32-14-7-12-24(32)20-8-3-2-4-9-20/h2-6,8-11,19,22,24-26,33-34H,7,12-15,17-18H2,1H3,(H,30,35)/t19-,22?,24-,25-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343967
((2R,3R)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cn2c(nc3ccccc23)C(F)(F)F)s1 |r| Show InChI InChI=1S/C28H26ClF3N4O4S/c29-17-6-3-5-16(13-17)21-9-4-12-35(21)26(40)24(38)23(37)25(39)33-14-18-10-11-19(41-18)15-36-22-8-2-1-7-20(22)34-27(36)28(30,31)32/h1-3,5-8,10-11,13,21,23-24,37-38H,4,9,12,14-15H2,(H,33,39)/t21-,23-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
MMDB
PC cid
PC sid
PDB
UniChem
Patents
Similars
| MMDB
PDB
Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | 
3D Structure (crystal) |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343952
((2R,3R)-N-(4-(2-cyanothiophen-3-yl)benzyl)-2,3-dih...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccsc1C#N |r| Show InChI InChI=1S/C26H25N3O4S/c27-15-22-20(12-14-34-22)18-10-8-17(9-11-18)16-28-25(32)23(30)24(31)26(33)29-13-4-7-21(29)19-5-2-1-3-6-19/h1-3,5-6,8-12,14,21,23-24,30-31H,4,7,13,16H2,(H,28,32)/t21-,23-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065426
(CHEMBL3401348)Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2cccc(c2)C(=O)N[C@@H](C)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H30N4O2/c1-16(2)24(4)14-21(29)28(23(25)27-24)15-18-9-8-12-20(13-18)22(30)26-17(3)19-10-6-5-7-11-19/h5-13,16-17H,14-15H2,1-4H3,(H2,25,27)(H,26,30)/t17-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin (unknown origin) |
Bioorg Med Chem Lett 25: 1592-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.003
BindingDB Entry DOI: 10.7270/Q2X63PMJ |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50265094
(2-(ethylthio)-5-fluoro-1-(4-(3-(piperidin-1-yl)pro...)Show InChI InChI=1S/C23H30FN3OS/c1-2-29-23-25-21-17-18(24)7-12-22(21)27(23)19-8-10-20(11-9-19)28-16-6-15-26-13-4-3-5-14-26/h7-12,17,23,25H,2-6,13-16H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 2.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343954
(CHEMBL1777832 | rac-(2R,3R)-N-(4-(1,2,3-thiadiazol...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(cc1)-c1csnn1 |r| Show InChI InChI=1S/C23H23ClN4O4S/c24-17-4-1-3-16(11-17)19-5-2-10-28(19)23(32)21(30)20(29)22(31)25-12-14-6-8-15(9-7-14)18-13-33-27-26-18/h1,3-4,6-9,11,13,19-21,29-30H,2,5,10,12H2,(H,25,31)/t19?,20-,21-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343963
((2R,3R)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-...)Show SMILES COc1ccccc1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1 |r| Show InChI InChI=1S/C27H29ClN2O5S/c1-35-23-10-3-2-6-18(23)15-20-11-12-21(36-20)16-29-26(33)24(31)25(32)27(34)30-13-5-9-22(30)17-7-4-8-19(28)14-17/h2-4,6-8,10-12,14,22,24-25,31-32H,5,9,13,15-16H2,1H3,(H,29,33)/t22-,24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50264897
(4-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCOCC2)cc1 Show InChI InChI=1S/C25H25FN4O2/c26-19-5-10-24-23(18-19)28-25(22-4-1-2-11-27-22)30(24)20-6-8-21(9-7-20)32-15-3-12-29-13-16-31-17-14-29/h1-2,4-11,18H,3,12-17H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50333520
(2-(1,4'-bipiperidin-1'-yl)-5-(6-methoxypyridin-2-y...)Show InChI InChI=1S/C18H25N5OS/c1-24-16-7-5-6-15(19-16)17-20-21-18(25-17)23-12-8-14(9-13-23)22-10-3-2-4-11-22/h5-7,14H,2-4,8-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 3.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK cells after 30 mins by scintillation count... |
Bioorg Med Chem Lett 21: 861-4 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.065
BindingDB Entry DOI: 10.7270/Q20V8D24 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50264977
(5-fluoro-1-(4-(3-(4-methyl-1,4-diazepan-1-yl)propo...)Show SMILES CN1CCCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)CC1 Show InChI InChI=1S/C27H30FN5O/c1-31-14-4-15-32(18-17-31)16-5-19-34-23-10-8-22(9-11-23)33-26-12-7-21(28)20-25(26)30-27(33)24-6-2-3-13-29-24/h2-3,6-13,20H,4-5,14-19H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 3.60 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343982
(CHEMBL1779615 | rac-(2R,3R)-4-(2-(3-chlorophenyl)p...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCC1CCN(CC1)c1ccccc1C#N |r| Show InChI InChI=1S/C27H31ClN4O4/c28-21-7-3-6-19(15-21)23-9-4-12-32(23)27(36)25(34)24(33)26(35)30-17-18-10-13-31(14-11-18)22-8-2-1-5-20(22)16-29/h1-3,5-8,15,18,23-25,33-34H,4,9-14,17H2,(H,30,35)/t23?,24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343973
(CHEMBL1779606 | rac-(2R,3R)-2,3-dihydroxy-N-((5-((...)Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccs2)s1 |r| Show InChI InChI=1S/C26H28N4O4S2/c1-16-28-19-6-2-3-7-20(19)30(16)15-18-11-10-17(36-18)14-27-25(33)23(31)24(32)26(34)29-12-4-8-21(29)22-9-5-13-35-22/h2-3,5-7,9-11,13,21,23-24,31-32H,4,8,12,14-15H2,1H3,(H,27,33)/t21?,23-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343966
((2R,3R)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-...)Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCC[C@@H]2c2cccc(Cl)c2)s1 |r| Show InChI InChI=1S/C28H29ClN4O4S/c1-17-31-22-8-2-3-9-24(22)33(17)16-21-12-11-20(38-21)15-30-27(36)25(34)26(35)28(37)32-13-5-10-23(32)18-6-4-7-19(29)14-18/h2-4,6-9,11-12,14,23,25-26,34-35H,5,10,13,15-16H2,1H3,(H,30,36)/t23-,25-,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343959
(CHEMBL1779630 | rac-(2R,3R)-N-(4-(1H-pyrazol-1-yl)...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C24H25ClN4O4/c25-18-5-1-4-17(14-18)20-6-2-12-28(20)24(33)22(31)21(30)23(32)26-15-16-7-9-19(10-8-16)29-13-3-11-27-29/h1,3-5,7-11,13-14,20-22,30-31H,2,6,12,15H2,(H,26,32)/t20?,21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50333511
(1-(3-(5-(1,4'-bipiperidin-1'-yl)-1,3,4-thiadiazol-...)Show SMILES CC(=O)c1cccc(c1)-c1nnc(s1)N1CCC(CC1)N1CCCCC1 Show InChI InChI=1S/C20H26N4OS/c1-15(25)16-6-5-7-17(14-16)19-21-22-20(26-19)24-12-8-18(9-13-24)23-10-3-2-4-11-23/h5-7,14,18H,2-4,8-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK cells after 30 mins by scintillation count... |
Bioorg Med Chem Lett 21: 861-4 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.065
BindingDB Entry DOI: 10.7270/Q20V8D24 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50264974
((S)-5-fluoro-1-(4-(3-(3-isopropylpyrrolidin-1-yl)p...)Show SMILES CC(C)[C@@H]1CCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 |r| Show InChI InChI=1S/C28H31FN4O/c1-20(2)21-13-16-32(19-21)15-5-17-34-24-10-8-23(9-11-24)33-27-12-7-22(29)18-26(27)31-28(33)25-6-3-4-14-30-25/h3-4,6-12,14,18,20-21H,5,13,15-17,19H2,1-2H3/t21-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4.80 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343949
((2R,3R)-N-(4-(3-cyanopyridin-4-yl)benzyl)-2,3-dihy...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccncc1C#N |r| Show InChI InChI=1S/C27H26N4O4/c28-15-21-17-29-13-12-22(21)19-10-8-18(9-11-19)16-30-26(34)24(32)25(33)27(35)31-14-4-7-23(31)20-5-2-1-3-6-20/h1-3,5-6,8-13,17,23-25,32-33H,4,7,14,16H2,(H,30,34)/t23-,24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50264935
(1-(4-(3-((2R,5R)-2,5-dimethylpyrrolidin-1-yl)propo...)Show SMILES C[C@@H]1CC[C@@H](C)N1CCCOc1ccc(cc1)-n1c(nc2cc(F)ccc12)-c1ccccn1 |r| Show InChI InChI=1S/C27H29FN4O/c1-19-7-8-20(2)31(19)16-5-17-33-23-12-10-22(11-13-23)32-26-14-9-21(28)18-25(26)30-27(32)24-6-3-4-15-29-24/h3-4,6,9-15,18-20H,5,7-8,16-17H2,1-2H3/t19-,20-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50264976
(1-(4-(3-(azepan-1-yl)propoxy)phenyl)-5-fluoro-2-(p...)Show SMILES Fc1ccc2n(c(nc2c1)-c1ccccn1)-c1ccc(OCCCN2CCCCCC2)cc1 Show InChI InChI=1S/C27H29FN4O/c28-21-9-14-26-25(20-21)30-27(24-8-3-4-15-29-24)32(26)22-10-12-23(13-11-22)33-19-7-18-31-16-5-1-2-6-17-31/h3-4,8-15,20H,1-2,5-7,16-19H2 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 5.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343980
(CHEMBL1779613 | rac-(2R,3R)-4-(2-(3-chlorophenyl)p...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCc1ccc(cn1)-c1ccccc1 |r| Show InChI InChI=1S/C26H26ClN3O4/c27-20-9-4-8-18(14-20)22-10-5-13-30(22)26(34)24(32)23(31)25(33)29-16-21-12-11-19(15-28-21)17-6-2-1-3-7-17/h1-4,6-9,11-12,14-15,22-24,31-32H,5,10,13,16H2,(H,29,33)/t22?,23-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 6 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Renin
(Homo sapiens (Human)) | BDBM50065424
(CHEMBL3401346)Show SMILES CC(C)[C@]1(C)CC(=O)N(Cc2ccnc(c2)N2C[C@H](CC2=O)c2ccccc2)C(=N)N1 |r| Show InChI InChI=1S/C24H29N5O2/c1-16(2)24(3)13-22(31)29(23(25)27-24)14-17-9-10-26-20(11-17)28-15-19(12-21(28)30)18-7-5-4-6-8-18/h4-11,16,19H,12-15H2,1-3H3,(H2,25,27)/t19-,24-/m0/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of renin (unknown origin) |
Bioorg Med Chem Lett 25: 1592-6 (2015)
Article DOI: 10.1016/j.bmcl.2015.02.003
BindingDB Entry DOI: 10.7270/Q2X63PMJ |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50333521
(2-(1,4'-bipiperidin-1'-yl)-5-(6-methylpyridin-2-yl...)Show InChI InChI=1S/C18H25N5S/c1-14-6-5-7-16(19-14)17-20-21-18(24-17)23-12-8-15(9-13-23)22-10-3-2-4-11-22/h5-7,15H,2-4,8-13H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 6.10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK cells after 30 mins by scintillation count... |
Bioorg Med Chem Lett 21: 861-4 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.065
BindingDB Entry DOI: 10.7270/Q20V8D24 |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343972
(CHEMBL1779605 | rac-(2R,3R)-2,3-dihydroxy-N-((5-((...)Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2ccccn2)s1 |r| Show InChI InChI=1S/C27H29N5O4S/c1-17-30-21-8-2-3-9-23(21)32(17)16-19-12-11-18(37-19)15-29-26(35)24(33)25(34)27(36)31-14-6-10-22(31)20-7-4-5-13-28-20/h2-5,7-9,11-13,22,24-25,33-34H,6,10,14-16H2,1H3,(H,29,35)/t22?,24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343953
((2R,3R)-2,3-dihydroxy-N-(4-(isoxazol-3-yl)benzyl)-...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCc1ccc(cc1)-c1ccon1 |r| Show InChI InChI=1S/C24H25N3O5/c28-21(22(29)24(31)27-13-4-7-20(27)18-5-2-1-3-6-18)23(30)25-15-16-8-10-17(11-9-16)19-12-14-32-26-19/h1-3,5-6,8-12,14,20-22,28-29H,4,7,13,15H2,(H,25,30)/t20-,21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50309158
((2R,3R)-N-((4-benzylthiazol-2-yl)methyl)-2,3-dihyd...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1ccccc1)C(=O)NCc1nc(Cc2ccccc2)cs1 |r| Show InChI InChI=1S/C25H27N3O4S/c29-22(23(30)25(32)28-13-7-12-20(28)18-10-5-2-6-11-18)24(31)26-15-21-27-19(16-33-21)14-17-8-3-1-4-9-17/h1-6,8-11,16,20,22-23,29-30H,7,12-15H2,(H,26,31)/t20?,22-,23-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 8 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 1189-93 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.004
BindingDB Entry DOI: 10.7270/Q2BK1CFB |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50265093
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-1...)Show SMILES Fc1ccc2n(-c3ccc(OCCCN4CCCCC4)cc3)c(=S)[nH]c2c1 Show InChI InChI=1S/C21H24FN3OS/c22-16-5-10-20-19(15-16)23-21(27)25(20)17-6-8-18(9-7-17)26-14-4-13-24-11-2-1-3-12-24/h5-10,15H,1-4,11-14H2,(H,23,27) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
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 |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50333534
(1-(2-(5-(1,4'-bipiperidin-1'-yl)-1,3,4-thiadiazol-...)Show InChI InChI=1S/C20H26N4OS/c1-15(25)17-7-3-4-8-18(17)19-21-22-20(26-19)24-13-9-16(10-14-24)23-11-5-2-6-12-23/h3-4,7-8,16H,2,5-6,9-14H2,1H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 8.40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Displacement of [3H]-N-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in HEK cells after 30 mins by scintillation count... |
Bioorg Med Chem Lett 21: 861-4 (2011)
Article DOI: 10.1016/j.bmcl.2010.11.065
BindingDB Entry DOI: 10.7270/Q20V8D24 |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50265052
(5-fluoro-1-(4-(3-(piperidin-1-yl)propoxy)phenyl)-1...)Show SMILES Fc1ccc2n(-c3ccc(OCCCN4CCCCC4)cc3)c(=O)[nH]c2c1 Show InChI InChI=1S/C21H24FN3O2/c22-16-5-10-20-19(15-16)23-21(26)25(20)17-6-8-18(9-7-17)27-14-4-13-24-11-2-1-3-12-24/h5-10,15H,1-4,11-14H2,(H,23,26) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 8.70 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343974
(CHEMBL1779607 | rac-(2R,3R)-2,3-dihydroxy-N-((5-((...)Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2nccs2)s1 |r| Show InChI InChI=1S/C25H27N5O4S2/c1-15-28-18-5-2-3-6-19(18)30(15)14-17-9-8-16(36-17)13-27-23(33)21(31)22(32)25(34)29-11-4-7-20(29)24-26-10-12-35-24/h2-3,5-6,8-10,12,20-22,31-32H,4,7,11,13-14H2,1H3,(H,27,33)/t20?,21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343960
((2R,3R)-N-((5-(2-chlorobenzyl)thiophen-2-yl)methyl...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccccc2Cl)s1 |r| Show InChI InChI=1S/C26H26Cl2N2O4S/c27-18-7-3-6-17(13-18)22-9-4-12-30(22)26(34)24(32)23(31)25(33)29-15-20-11-10-19(35-20)14-16-5-1-2-8-21(16)28/h1-3,5-8,10-11,13,22-24,31-32H,4,9,12,14-15H2,(H,29,33)/t22-,23-,24-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 9.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50265050
(1-(3-(4-(5-fluoro-2-(pyridin-2-yl)-1H-benzo[d]imid...)Show SMILES NC(=O)C1CCCN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 Show InChI InChI=1S/C27H28FN5O2/c28-20-7-12-25-24(17-20)31-27(23-6-1-2-13-30-23)33(25)21-8-10-22(11-9-21)35-16-4-15-32-14-3-5-19(18-32)26(29)34/h1-2,6-13,17,19H,3-5,14-16,18H2,(H2,29,34) | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50309147
((2R,3R)-4-(2-(3-chlorophenyl)pyrrolidin-1-yl)-2,3-...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCCC1c1cccc(Cl)c1)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C20H23ClN2O4S/c21-14-5-1-4-13(12-14)16-7-2-10-23(16)20(27)18(25)17(24)19(26)22-9-8-15-6-3-11-28-15/h1,3-6,11-12,16-18,24-25H,2,7-10H2,(H,22,26)/t16?,17-,18-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Schering-Plough Research Institute Cambridge
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 1189-93 (2010)
Article DOI: 10.1016/j.bmcl.2009.12.004
BindingDB Entry DOI: 10.7270/Q2BK1CFB |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343964
((2R,3R)-4-((R)-2-(3-chlorophenyl)pyrrolidin-1-yl)-...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1)C(=O)NCc1ccc(Cc2ccsc2)s1 |r| Show InChI InChI=1S/C24H25ClN2O4S2/c25-17-4-1-3-16(12-17)20-5-2-9-27(20)24(31)22(29)21(28)23(30)26-13-19-7-6-18(33-19)11-15-8-10-32-14-15/h1,3-4,6-8,10,12,14,20-22,28-29H,2,5,9,11,13H2,(H,26,30)/t20-,21-,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Histamine H3 receptor
(Homo sapiens (Human)) | BDBM50264896
(1-(4-(3-(3,5-dimethylpiperidin-1-yl)propoxy)phenyl...)Show SMILES CC1CC(C)CN(CCCOc2ccc(cc2)-n2c(nc3cc(F)ccc23)-c2ccccn2)C1 Show InChI InChI=1S/C28H31FN4O/c1-20-16-21(2)19-32(18-20)14-5-15-34-24-10-8-23(9-11-24)33-27-12-7-22(29)17-26(27)31-28(33)25-6-3-4-13-30-25/h3-4,6-13,17,20-21H,5,14-16,18-19H2,1-2H3 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 11 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
Displacement of [3H]N-alpha-methylhistamine from human histamine H3 receptor expressed in HEK cells by scintillation counting |
Bioorg Med Chem Lett 18: 5032-6 (2008)
Article DOI: 10.1016/j.bmcl.2008.08.008
BindingDB Entry DOI: 10.7270/Q2CZ370Q |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343983
((2R,3R)-N-((3-(2-cyanophenyl)-3-azabicyclo[3.1.0]h...)Show SMILES O[C@H]([C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1)C(=O)NCC1C2CN(CC12)c1ccccc1C#N |r| Show InChI InChI=1S/C27H30N4O4/c28-13-18-9-4-5-10-22(18)30-15-20-19(21(20)16-30)14-29-26(34)24(32)25(33)27(35)31-12-6-11-23(31)17-7-2-1-3-8-17/h1-5,7-10,19-21,23-25,32-33H,6,11-12,14-16H2,(H,29,34)/t19?,20?,21?,23-,24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
Disintegrin and metalloproteinase domain-containing protein 17
(Homo sapiens (Human)) | BDBM50343970
(CHEMBL1779603 | rac-(2R,3R)-2,3-dihydroxy-N-((5-((...)Show SMILES Cc1nc2ccccc2n1Cc1ccc(CNC(=O)[C@H](O)[C@@H](O)C(=O)N2CCCC2c2cccnc2)s1 |r| Show InChI InChI=1S/C27H29N5O4S/c1-17-30-21-7-2-3-8-23(21)32(17)16-20-11-10-19(37-20)15-29-26(35)24(33)25(34)27(36)31-13-5-9-22(31)18-6-4-12-28-14-18/h2-4,6-8,10-12,14,22,24-25,33-34H,5,9,13,15-16H2,1H3,(H,29,35)/t22?,24-,25-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
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 |
Merck Research Laboratories
Curated by ChEMBL
| Assay Description
Inhibition of TACE |
Bioorg Med Chem Lett 20: 4812-5 (2010)
Article DOI: 10.1016/j.bmcl.2010.06.104
BindingDB Entry DOI: 10.7270/Q2GX4BWK |
More data for this
Ligand-Target Pair | |
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