BindingDB logo
myBDB logout

9 similar compounds to monomer 50402120

Compile data set for download or QSAR
Wt: 639.5
BDBM50402113
Wt: 609.5
BDBM50402114
Wt: 597.5
BDBM50402115
Wt: 609.5
BDBM50402116
Wt: 583.4
BDBM50402117
Wt: 569.4
BDBM50402119
Wt: 548.0
BDBM50402125
Wt: 568.4
BDBM50402127
Wt: 559.0
BDBM50402128

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 26 hits for monomerid = 50402113,50402114,50402115,50402116,50402117,50402119,50402125,50402127,50402128   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402114
PNG
(CHEMBL2207654)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-5-2-19(12-25(24)29)39-18-6-10-32(11-7-18)16-17(34)14-30-27(36)23-15-31-26(35)22-13-20(3-4-21(22)23)40(37,38)33-8-1-9-33/h2-5,12-13,15,17-18,34H,1,6-11,14,16H2,(H,30,36)(H,31,35)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.316n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402115
PNG
(CHEMBL2207286)
Show SMILES CN(C)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H30Cl2N4O6S/c1-31(2)39(36,37)19-4-5-20-21(12-19)25(34)30-14-22(20)26(35)29-13-16(33)15-32-9-7-17(8-10-32)38-18-3-6-23(27)24(28)11-18/h3-6,11-12,14,16-17,33H,7-10,13,15H2,1-2H3,(H,29,35)(H,30,34)/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
0.794n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402114
PNG
(CHEMBL2207654)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-5-2-19(12-25(24)29)39-18-6-10-32(11-7-18)16-17(34)14-30-27(36)23-15-31-26(35)22-13-20(3-4-21(22)23)40(37,38)33-8-1-9-33/h2-5,12-13,15,17-18,34H,1,6-11,14,16H2,(H,30,36)(H,31,35)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
2.51n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402116
PNG
(CHEMBL2207285)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-6-3-19(11-25(24)29)39-18-7-9-33(10-8-18)15-17(34)13-30-27(36)23-14-31-26(35)22-12-20(4-5-21(22)23)40(37,38)32-16-1-2-16/h3-6,11-12,14,16-18,32,34H,1-2,7-10,13,15H2,(H,30,36)(H,31,35)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.98n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402117
PNG
(CHEMBL2207284)
Show SMILES CNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H28Cl2N4O6S/c1-28-38(35,36)18-3-4-19-20(11-18)24(33)30-13-21(19)25(34)29-12-15(32)14-31-8-6-16(7-9-31)37-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,28,32H,6-9,12,14H2,1H3,(H,29,34)(H,30,33)/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
3.98n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402116
PNG
(CHEMBL2207285)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-6-3-19(11-25(24)29)39-18-7-9-33(10-8-18)15-17(34)13-30-27(36)23-14-31-26(35)22-12-20(4-5-21(22)23)40(37,38)32-16-1-2-16/h3-6,11-12,14,16-18,32,34H,1-2,7-10,13,15H2,(H,30,36)(H,31,35)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
5.01n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402127
PNG
(CHEMBL2207671)
Show SMILES CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-37(34,35)18-3-4-19-20(11-18)24(32)29-13-21(19)25(33)28-12-15(31)14-30-8-6-16(7-9-30)36-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,31H,6-9,12,14H2,1H3,(H,28,33)(H,29,32)/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
7.94n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402113
PNG
(CHEMBL2207655)
Show SMILES CC1(O)CN(C1)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H32Cl2N4O7S/c1-28(38)15-34(16-28)42(39,40)20-3-4-21-22(11-20)26(36)32-13-23(21)27(37)31-12-17(35)14-33-8-6-18(7-9-33)41-19-2-5-24(29)25(30)10-19/h2-5,10-11,13,17-18,35,38H,6-9,12,14-16H2,1H3,(H,31,37)(H,32,36)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.6n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402115
PNG
(CHEMBL2207286)
Show SMILES CN(C)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H30Cl2N4O6S/c1-31(2)39(36,37)19-4-5-20-21(12-19)25(34)30-14-22(20)26(35)29-13-16(33)15-32-9-7-17(8-10-32)38-18-3-6-23(27)24(28)11-18/h3-6,11-12,14,16-17,33H,7-10,13,15H2,1-2H3,(H,29,35)(H,30,34)/t16-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
12.6n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402125
PNG
(CHEMBL2207276)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(ccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O6S/c1-16-11-17(27)3-6-24(16)36-19-7-9-30(10-8-19)15-18(31)13-28-26(33)23-14-29-25(32)22-12-20(37(2,34)35)4-5-21(22)23/h3-6,11-12,14,18-19,31H,7-10,13,15H2,1-2H3,(H,28,33)(H,29,32)/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
15.8n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402127
PNG
(CHEMBL2207671)
Show SMILES CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-37(34,35)18-3-4-19-20(11-18)24(32)29-13-21(19)25(33)28-12-15(31)14-30-8-6-16(7-9-30)36-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,31H,6-9,12,14H2,1H3,(H,28,33)(H,29,32)/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402119
PNG
(CHEMBL2207282)
Show SMILES NS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H26Cl2N4O6S/c25-21-4-1-16(9-22(21)26)36-15-5-7-30(8-6-15)13-14(31)11-28-24(33)20-12-29-23(32)19-10-17(37(27,34)35)2-3-18(19)20/h1-4,9-10,12,14-15,31H,5-8,11,13H2,(H,28,33)(H,29,32)(H2,27,34,35)/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
19.9n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402113
PNG
(CHEMBL2207655)
Show SMILES CC1(O)CN(C1)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H32Cl2N4O7S/c1-28(38)15-34(16-28)42(39,40)20-3-4-21-22(11-20)26(36)32-13-23(21)27(37)31-12-17(35)14-33-8-6-18(7-9-33)41-19-2-5-24(29)25(30)10-19/h2-5,10-11,13,17-18,35,38H,6-9,12,14-16H2,1H3,(H,31,37)(H,32,36)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402117
PNG
(CHEMBL2207284)
Show SMILES CNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H28Cl2N4O6S/c1-28-38(35,36)18-3-4-19-20(11-18)24(33)30-13-21(19)25(34)29-12-15(32)14-31-8-6-16(7-9-31)37-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,28,32H,6-9,12,14H2,1H3,(H,29,34)(H,30,33)/t15-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402119
PNG
(CHEMBL2207282)
Show SMILES NS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H26Cl2N4O6S/c25-21-4-1-16(9-22(21)26)36-15-5-7-30(8-6-15)13-14(31)11-28-24(33)20-12-29-23(32)19-10-17(37(27,34)35)2-3-18(19)20/h1-4,9-10,12,14-15,31H,5-8,11,13H2,(H,28,33)(H,29,32)(H2,27,34,35)/t14-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
25.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
C-C chemokine receptor type 3


(Homo sapiens (Human))
BDBM50402128
PNG
(CHEMBL2207670)
Show SMILES CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C26H27ClN4O6S/c1-38(35,36)20-4-5-21-22(11-20)25(33)30-14-23(21)26(34)29-13-17(32)15-31-8-6-18(7-9-31)37-19-3-2-16(12-28)24(27)10-19/h2-5,10-11,14,17-18,32H,6-9,13,15H2,1H3,(H,29,34)(H,30,33)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
63.1n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-4-(2,4-dichloro-3-methylphenoxy)-l'-[4-(methylsulfonyl)benzoyl]-l,4'-bipiperidine from human recombinant CCR3 expressed in CHOK1...


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402125
PNG
(CHEMBL2207276)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(ccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O6S/c1-16-11-17(27)3-6-24(16)36-19-7-9-30(10-8-19)15-18(31)13-28-26(33)23-14-29-25(32)22-12-20(37(2,34)35)4-5-21(22)23/h3-6,11-12,14,18-19,31H,7-10,13,15H2,1-2H3,(H,28,33)(H,29,32)/t18-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
79.4n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Histamine H1 receptor


(Homo sapiens (Human))
BDBM50402128
PNG
(CHEMBL2207670)
Show SMILES CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(C#N)c(Cl)c1
Show InChI InChI=1S/C26H27ClN4O6S/c1-38(35,36)20-4-5-21-22(11-20)25(33)30-14-23(21)26(34)29-13-17(32)15-31-8-6-18(7-9-31)37-19-3-2-16(12-28)24(27)10-19/h2-5,10-11,14,17-18,32H,6-9,13,15H2,1H3,(H,29,34)(H,30,33)/t17-/m1/s1
Reactome pathway
KEGG

UniProtKB/SwissProt

DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
251n/an/an/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of [3H]-pyrilamine from human recombinant H1 histamine receptor expressed in CHOK1 cells after 1 hr


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402125
PNG
(CHEMBL2207276)
Show SMILES Cc1cc(Cl)ccc1OC1CCN(C[C@H](O)CNC(=O)c2c[nH]c(=O)c3cc(ccc23)S(C)(=O)=O)CC1
Show InChI InChI=1S/C26H30ClN3O6S/c1-16-11-17(27)3-6-24(16)36-19-7-9-30(10-8-19)15-18(31)13-28-26(33)23-14-29-25(32)22-12-20(37(2,34)35)4-5-21(22)23/h3-6,11-12,14,18-19,31H,7-10,13,15H2,1-2H3,(H,28,33)(H,29,32)/t18-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402116
PNG
(CHEMBL2207285)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)NC1CC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-6-3-19(11-25(24)29)39-18-7-9-33(10-8-18)15-17(34)13-30-27(36)23-14-31-26(35)22-12-20(4-5-21(22)23)40(37,38)32-16-1-2-16/h3-6,11-12,14,16-18,32,34H,1-2,7-10,13,15H2,(H,30,36)(H,31,35)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 794n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402117
PNG
(CHEMBL2207284)
Show SMILES CNS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H28Cl2N4O6S/c1-28-38(35,36)18-3-4-19-20(11-18)24(33)30-13-21(19)25(34)29-12-15(32)14-31-8-6-16(7-9-31)37-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,28,32H,6-9,12,14H2,1H3,(H,29,34)(H,30,33)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 2.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402119
PNG
(CHEMBL2207282)
Show SMILES NS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C24H26Cl2N4O6S/c25-21-4-1-16(9-22(21)26)36-15-5-7-30(8-6-15)13-14(31)11-28-24(33)20-12-29-23(32)19-10-17(37(27,34)35)2-3-18(19)20/h1-4,9-10,12,14-15,31H,5-8,11,13H2,(H,28,33)(H,29,32)(H2,27,34,35)/t14-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a>6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402114
PNG
(CHEMBL2207654)
Show SMILES O[C@H](CNC(=O)c1c[nH]c(=O)c2cc(ccc12)S(=O)(=O)N1CCC1)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C27H30Cl2N4O6S/c28-24-5-2-19(12-25(24)29)39-18-6-10-32(11-7-18)16-17(34)14-30-27(36)23-15-31-26(35)22-13-20(3-4-21(22)23)40(37,38)33-8-1-9-33/h2-5,12-13,15,17-18,34H,1,6-11,14,16H2,(H,30,36)(H,31,35)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402113
PNG
(CHEMBL2207655)
Show SMILES CC1(O)CN(C1)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C28H32Cl2N4O7S/c1-28(38)15-34(16-28)42(39,40)20-3-4-21-22(11-20)26(36)32-13-23(21)27(37)31-12-17(35)14-33-8-6-18(7-9-33)41-19-2-5-24(29)25(30)10-19/h2-5,10-11,13,17-18,35,38H,6-9,12,14-16H2,1H3,(H,31,37)(H,32,36)/t17-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 3.16E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402127
PNG
(CHEMBL2207671)
Show SMILES CS(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C25H27Cl2N3O6S/c1-37(34,35)18-3-4-19-20(11-18)24(32)29-13-21(19)25(33)28-12-15(31)14-30-8-6-16(7-9-30)36-17-2-5-22(26)23(27)10-17/h2-5,10-11,13,15-16,31H,6-9,12,14H2,1H3,(H,28,33)(H,29,32)/t15-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 6.31E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair
Potassium voltage-gated channel subfamily H member 2


(Homo sapiens (Human))
BDBM50402115
PNG
(CHEMBL2207286)
Show SMILES CN(C)S(=O)(=O)c1ccc2c(c[nH]c(=O)c2c1)C(=O)NC[C@@H](O)CN1CCC(CC1)Oc1ccc(Cl)c(Cl)c1
Show InChI InChI=1S/C26H30Cl2N4O6S/c1-31(2)39(36,37)19-4-5-20-21(12-19)25(34)30-14-22(20)26(35)29-13-16(33)15-32-9-7-17(8-10-32)38-18-3-6-23(27)24(28)11-18/h3-6,11-12,14,16-17,33H,7-10,13,15H2,1-2H3,(H,29,35)(H,30,34)/t16-/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
CHEMBL
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/a 1.00E+3n/an/an/an/an/an/a



AstraZeneca

Curated by ChEMBL


Assay Description
Displacement of 3,7-Bis[2-(4-nitro[3,5]-[3H]phenyl)ethyl]-3,7-diazabicyclo[3.3.1]nonane from human ERG expressed in HEK cells after 3hrs


Bioorg Med Chem Lett 22: 7707-10 (2012)


Article DOI: 10.1016/j.bmcl.2012.09.112
BindingDB Entry DOI: 10.7270/Q2JD4XZZ
More data for this
Ligand-Target Pair