Found 204 hits with Last Name = 'ettorre' and Initial = 'a' 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 |
|---|
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419921
(CHEMBL1956864)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCCCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C38H55Cl2N5O5S/c1-28-26-29(2)41-36-30(28)12-11-13-33(36)50-27-31-32(39)14-15-34(35(31)40)51(47,48)42-38(16-24-49-25-17-38)37(46)43-18-22-45(6,23-19-43)21-10-8-7-9-20-44(3,4)5/h11-15,26,42H,7-10,16-25,27H2,1-6H3/q+2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419924
(CHEMBL1956856)Show SMILES CN(C)CCC[C@H](N)C(=O)N1CCN(CC1)C(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl |r| Show InChI InChI=1S/C35H46Cl2N6O6S/c1-23-21-24(2)39-32-25(23)7-5-9-29(32)49-22-26-27(36)10-11-30(31(26)37)50(46,47)40-35(12-19-48-20-13-35)34(45)43-17-15-42(16-18-43)33(44)28(38)8-6-14-41(3)4/h5,7,9-11,21,28,40H,6,8,12-20,22,38H2,1-4H3/t28-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419899
(CHEMBL1956876)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(CNCCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C37H52Cl2N5O5S/c1-26-23-27(2)41-35-29(26)9-8-10-32(35)49-25-30-31(38)11-12-33(34(30)39)50(46,47)42-37(15-21-48-22-16-37)36(45)43-18-13-28(14-19-43)24-40-17-6-7-20-44(3,4)5/h8-12,23,28,40,42H,6-7,13-22,24-25H2,1-5H3/q+1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50411275
(CHEMBL218427 | MEN-16132)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C36H49Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-6-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)43-17-15-42(16-18-43)34(45)29(39)9-7-19-44(3,4)5/h6,8,10-12,22,29,41H,7,9,13-21,23,39H2,1-5H3/q+1/t29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419920
(CHEMBL1956863)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C37H53Cl2N5O5S/c1-27-25-28(2)40-35-29(27)11-10-12-32(35)49-26-30-31(38)13-14-33(34(30)39)50(46,47)41-37(15-23-48-24-16-37)36(45)42-17-21-44(6,22-18-42)20-9-7-8-19-43(3,4)5/h10-14,25,41H,7-9,15-24,26H2,1-6H3/q+2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419907
(CHEMBL1956855)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCN)c2n1 |r| Show InChI InChI=1S/C33H42Cl2N6O6S/c1-21-19-22(2)38-30-23(21)5-3-7-27(30)47-20-24-25(34)8-9-28(29(24)35)48(44,45)39-33(10-17-46-18-11-33)32(43)41-15-13-40(14-16-41)31(42)26(37)6-4-12-36/h3,5,7-9,19,26,39H,4,6,10-18,20,36-37H2,1-2H3/t26-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415924
(CHEMBL1083850)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H50N4O3S/c1-28-11-12-31-26-34(45-33(31)24-28)35(42)39-37(15-5-6-16-37)36(43)38-32(25-29-8-3-2-4-9-29)10-7-17-40-18-20-41(21-19-40)27-30-13-22-44-23-14-30/h2-4,8-9,11-12,24,26,30,32H,5-7,10,13-23,25,27H2,1H3,(H,38,43)(H,39,42)/t32-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419922
(CHEMBL1956870)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CCCCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C37H52Cl2N5O5S/c1-27-25-28(2)40-35-29(27)11-10-12-32(35)49-26-30-31(38)13-14-33(34(30)39)50(46,47)41-37(15-23-48-24-16-37)36(45)43-20-18-42(19-21-43)17-8-6-7-9-22-44(3,4)5/h10-14,25,41H,6-9,15-24,26H2,1-5H3/q+1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419918
(CHEMBL1956719)Show SMILES [#6]-c1cc(-[#6])c2cccc(-[#8]-[#6]-c3c(Cl)ccc(c3Cl)S(=O)(=O)[#7]C3([#6]-[#6]-[#8]-[#6]-[#6]3)[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])c2n1 |r| Show InChI InChI=1S/C35H46Cl2N8O6S/c1-22-20-23(2)42-31-24(22)6-5-8-28(31)51-21-25-26(36)9-10-29(30(25)37)52(48,49)43-35(11-18-50-19-12-35)33(47)45-16-14-44(15-17-45)32(46)27(38)7-3-4-13-41-34(39)40/h5-6,8-10,20,27,43H,3-4,7,11-19,21,38H2,1-2H3,(H4,39,40,41)/t27-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419909
(CHEMBL1956858)Show SMILES CN(C)CCCC[C@H](N)C(=O)N1CCN(CC1)C(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl |r| Show InChI InChI=1S/C36H48Cl2N6O6S/c1-24-22-25(2)40-33-26(24)8-7-10-30(33)50-23-27-28(37)11-12-31(32(27)38)51(47,48)41-36(13-20-49-21-14-36)35(46)44-18-16-43(17-19-44)34(45)29(39)9-5-6-15-42(3)4/h7-8,10-12,22,29,41H,5-6,9,13-21,23,39H2,1-4H3/t29-/m0/s1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419901
(CHEMBL1956720)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)C[N+](C)(C)C)c2n1 Show InChI InChI=1S/C33H42Cl2N5O6S/c1-22-19-23(2)36-31-24(22)7-6-8-27(31)46-21-25-26(34)9-10-28(30(25)35)47(43,44)37-33(11-17-45-18-12-33)32(42)39-15-13-38(14-16-39)29(41)20-40(3,4)5/h6-10,19,37H,11-18,20-21H2,1-5H3/q+1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415966
(CHEMBL1083974)Show SMILES N[C@@H](CCC(=O)N1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C21H33N3O2/c22-20(16-18-4-2-1-3-5-18)6-7-21(25)24-12-10-23(11-13-24)17-19-8-14-26-15-9-19/h1-5,19-20H,6-17,22H2/t20-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419902
(CHEMBL1956722)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C36H48Cl2N5O6S/c1-25-23-26(2)39-34-27(25)9-8-10-30(34)49-24-28-29(37)12-13-31(33(28)38)50(46,47)40-36(14-21-48-22-15-36)35(45)42-18-16-41(17-19-42)32(44)11-6-7-20-43(3,4)5/h8-10,12-13,23,40H,6-7,11,14-22,24H2,1-5H3/q+1 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419913
(CHEMBL1956862)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C36H51Cl2N5O5S/c1-26-24-27(2)39-34-28(26)10-9-11-31(34)48-25-29-30(37)12-13-32(33(29)38)49(45,46)40-36(14-22-47-23-15-36)35(44)41-16-20-43(6,21-17-41)19-8-7-18-42(3,4)5/h9-13,24,40H,7-8,14-23,25H2,1-6H3/q+2 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415954
(CHEMBL1083858)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCN1CCN(CC1)C1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C35H46N4O3S/c1-26-9-10-28-25-32(43-31(28)23-26)33(40)37-35(14-5-6-15-35)34(41)36-29(24-27-7-3-2-4-8-27)11-16-38-17-19-39(20-18-38)30-12-21-42-22-13-30/h2-4,7-10,23,25,29-30H,5-6,11-22,24H2,1H3,(H,36,41)(H,37,40)/t29-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419906
(CHEMBL1956854)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCCN)c2n1 Show InChI InChI=1S/C33H41Cl2N5O6S/c1-22-20-23(2)37-31-24(22)6-5-7-27(31)46-21-25-26(34)9-10-28(30(25)35)47(43,44)38-33(11-18-45-19-12-33)32(42)40-16-14-39(15-17-40)29(41)8-3-4-13-36/h5-7,9-10,20,38H,3-4,8,11-19,21,36H2,1-2H3 | PDB
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.0794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419908
(CHEMBL1956857)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCCN)c2n1 |r| Show InChI InChI=1S/C34H44Cl2N6O6S/c1-22-20-23(2)39-31-24(22)6-5-8-28(31)48-21-25-26(35)9-10-29(30(25)36)49(45,46)40-34(11-18-47-19-12-34)33(44)42-16-14-41(15-17-42)32(43)27(38)7-3-4-13-37/h5-6,8-10,20,27,40H,3-4,7,11-19,21,37-38H2,1-2H3/t27-/m0/s1 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419905
(CHEMBL1956853)Show SMILES CN(C)CCCCC(=O)N1CCN(CC1)C(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(Cl)c(COc2cccc3c(C)cc(C)nc23)c1Cl Show InChI InChI=1S/C35H45Cl2N5O6S/c1-24-22-25(2)38-33-26(24)8-7-9-29(33)48-23-27-28(36)11-12-30(32(27)37)49(45,46)39-35(13-20-47-21-14-35)34(44)42-18-16-41(17-19-42)31(43)10-5-6-15-40(3)4/h7-9,11-12,22,39H,5-6,10,13-21,23H2,1-4H3 | PDB
UniProtKB/SwissProt
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415928
(CHEMBL1083879)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)C1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H48N4O4S/c1-27-11-12-30-26-33(46-32(30)24-27)34(42)39-37(15-5-6-16-37)36(44)38-31(25-28-8-3-2-4-9-28)10-7-17-40-18-20-41(21-19-40)35(43)29-13-22-45-23-14-29/h2-4,8-9,11-12,24,26,29,31H,5-7,10,13-23,25H2,1H3,(H,38,44)(H,39,42)/t31-/m0/s1 | PDB
Reactome pathway
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419912
(CHEMBL1956861)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C35H49Cl2N5O5S/c1-25-23-26(2)38-33-27(25)9-7-10-30(33)47-24-28-29(36)11-12-31(32(28)37)48(44,45)39-35(13-21-46-22-14-35)34(43)40-15-19-42(6,20-16-40)18-8-17-41(3,4)5/h7,9-12,23,39H,8,13-22,24H2,1-6H3/q+2 | PDB
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| 0.100 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419903
(CHEMBL1956723)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C37H50Cl2N5O6S/c1-26-24-27(2)40-35-28(26)10-9-11-31(35)50-25-29-30(38)13-14-32(34(29)39)51(47,48)41-37(15-22-49-23-16-37)36(46)43-19-17-42(18-20-43)33(45)12-7-6-8-21-44(3,4)5/h9-11,13-14,24,41H,6-8,12,15-23,25H2,1-5H3/q+1 | PDB
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antibodypedia
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| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415943
(CHEMBL1083869)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccc(F)cc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C38H45FN4O2S/c1-28-11-14-31-26-35(46-34(31)24-28)36(44)41-38(17-5-6-18-38)37(45)40-33(25-29-8-3-2-4-9-29)10-7-19-42-20-22-43(23-21-42)27-30-12-15-32(39)16-13-30/h2-4,8-9,11-16,24,26,33H,5-7,10,17-23,25,27H2,1H3,(H,40,45)(H,41,44)/t33-/m0/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419919
(CHEMBL1956721)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C35H46Cl2N5O6S/c1-24-22-25(2)38-33-26(24)8-6-9-29(33)48-23-27-28(36)11-12-30(32(27)37)49(45,46)39-35(13-20-47-21-14-35)34(44)41-17-15-40(16-18-41)31(43)10-7-19-42(3,4)5/h6,8-9,11-12,22,39H,7,10,13-21,23H2,1-5H3/q+1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
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| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415949
(CHEMBL1083863)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCC1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C38H51N3O3S/c1-28-12-13-32-26-35(45-34(32)24-28)36(42)40-38(18-5-6-19-38)37(43)39-33(25-30-8-3-2-4-9-30)11-7-10-29-14-20-41(21-15-29)27-31-16-22-44-23-17-31/h2-4,8-9,12-13,24,26,29,31,33H,5-7,10-11,14-23,25,27H2,1H3,(H,39,43)(H,40,42)/t33-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419900
(CHEMBL1956718)Show SMILES [#6]-c1cc(-[#6])c2cccc(-[#8]-[#6]-c3c(Cl)ccc(c3Cl)S(=O)(=O)[#7]C3([#6]-[#6]-[#8]-[#6]-[#6]3)[#6](=O)-[#7]-3-[#6]-[#6]-[#7](-[#6]-[#6]-3)-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])c2n1 |r| Show InChI InChI=1S/C34H44Cl2N8O6S/c1-21-19-22(2)41-30-23(21)5-3-7-27(30)50-20-24-25(35)8-9-28(29(24)36)51(47,48)42-34(10-17-49-18-11-34)32(46)44-15-13-43(14-16-44)31(45)26(37)6-4-12-40-33(38)39/h3,5,7-9,19,26,42H,4,6,10-18,20,37H2,1-2H3,(H4,38,39,40)/t26-/m0/s1 | PDB
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| 0.126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415970
(CHEMBL1083870)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccccn2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H45N5O2S/c1-28-14-15-30-26-34(45-33(30)24-28)35(43)40-37(16-6-7-17-37)36(44)39-31(25-29-10-3-2-4-11-29)13-9-19-41-20-22-42(23-21-41)27-32-12-5-8-18-38-32/h2-5,8,10-12,14-15,18,24,26,31H,6-7,9,13,16-17,19-23,25,27H2,1H3,(H,39,44)(H,40,43)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
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UniChem
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PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419898
(CHEMBL1956875)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(CNCCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C36H50Cl2N5O5S/c1-25-22-26(2)40-34-28(25)8-6-9-31(34)48-24-29-30(37)10-11-32(33(29)38)49(45,46)41-36(14-20-47-21-15-36)35(44)42-17-12-27(13-18-42)23-39-16-7-19-43(3,4)5/h6,8-11,22,27,39,41H,7,12-21,23-24H2,1-5H3/q+1 | PDB
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
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PC sid
UniChem
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| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415940
(CHEMBL1083873)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2cccs2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H44N4O2S2/c1-27-13-14-29-25-33(44-32(29)23-27)34(41)38-36(15-5-6-16-36)35(42)37-30(24-28-9-3-2-4-10-28)11-7-17-39-18-20-40(21-19-39)26-31-12-8-22-43-31/h2-4,8-10,12-14,22-23,25,30H,5-7,11,15-21,24,26H2,1H3,(H,37,42)(H,38,41)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
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PC sid
UniChem
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| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415939
(CHEMBL1083874)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccsc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H44N4O2S2/c1-27-11-12-30-24-33(44-32(30)22-27)34(41)38-36(14-5-6-15-36)35(42)37-31(23-28-8-3-2-4-9-28)10-7-16-39-17-19-40(20-18-39)25-29-13-21-43-26-29/h2-4,8-9,11-13,21-22,24,26,31H,5-7,10,14-20,23,25H2,1H3,(H,37,42)(H,38,41)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415938
(CHEMBL1083875)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccoc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H44N4O3S/c1-27-11-12-30-24-33(44-32(30)22-27)34(41)38-36(14-5-6-15-36)35(42)37-31(23-28-8-3-2-4-9-28)10-7-16-39-17-19-40(20-18-39)25-29-13-21-43-26-29/h2-4,8-9,11-13,21-22,24,26,31H,5-7,10,14-20,23,25H2,1H3,(H,37,42)(H,38,41)/t31-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
Similars
| Article
PubMed
| 0.158 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419904
(CHEMBL1956852)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)CCCCCC[N+](C)(C)C)c2n1 Show InChI InChI=1S/C38H52Cl2N5O6S/c1-27-25-28(2)41-36-29(27)11-10-12-32(36)51-26-30-31(39)14-15-33(35(30)40)52(48,49)42-38(16-23-50-24-17-38)37(47)44-20-18-43(19-21-44)34(46)13-8-6-7-9-22-45(3,4)5/h10-12,14-15,25,42H,6-9,13,16-24,26H2,1-5H3/q+1 | PDB
UniProtKB/SwissProt
antibodypedia
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UniChem
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PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419897
(CHEMBL1955876)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCC(CNCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C35H48Cl2N5O5S/c1-24-21-25(2)39-33-27(24)7-6-8-30(33)47-23-28-29(36)9-10-31(32(28)37)48(44,45)40-35(13-19-46-20-14-35)34(43)41-16-11-26(12-17-41)22-38-15-18-42(3,4)5/h6-10,21,26,38,40H,11-20,22-23H2,1-5H3/q+1 | PDB
UniProtKB/SwissProt
antibodypedia
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PC sid
UniChem
Similars
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PubMed
| 0.200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50418024
(CHEMBL1683146)Show SMILES O=C(NCC1CCN(CC2CCOCC2)CC1)[C@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1ccc(cc1)-n1cccc1 |r| Show InChI InChI=1S/C38H49N5O4/c44-35(32-10-12-33(13-11-32)43-20-6-7-21-43)41-38(18-4-5-19-38)37(46)40-34(26-29-8-2-1-3-9-29)36(45)39-27-30-14-22-42(23-15-30)28-31-16-24-47-25-17-31/h1-3,6-13,20-21,30-31,34H,4-5,14-19,22-28H2,(H,39,45)(H,40,46)(H,41,44)/t34-/m0/s1 | PDB
Reactome pathway
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| 0.234 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor after 30 mins |
Bioorg Med Chem Lett 21: 1807-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.074
BindingDB Entry DOI: 10.7270/Q2CN755J |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419911
(CHEMBL1956860)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+](C)(CC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C34H47Cl2N5O5S/c1-24-22-25(2)37-32-26(24)8-7-9-29(32)46-23-27-28(35)10-11-30(31(27)36)47(43,44)38-34(12-20-45-21-13-34)33(42)39-14-16-41(6,17-15-39)19-18-40(3,4)5/h7-11,22,38H,12-21,23H2,1-6H3/q+2 | PDB
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419910
(CHEMBL1956859)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CC3)C(=O)[C@@H](N)CCCC[N+](C)(C)C)c2n1 |r| Show InChI InChI=1S/C37H51Cl2N6O6S/c1-25-23-26(2)41-34-27(25)9-8-11-31(34)51-24-28-29(38)12-13-32(33(28)39)52(48,49)42-37(14-21-50-22-15-37)36(47)44-18-16-43(17-19-44)35(46)30(40)10-6-7-20-45(3,4)5/h8-9,11-13,23,30,42H,6-7,10,14-22,24,40H2,1-5H3/q+1/t30-/m0/s1 | PDB
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419917
(CHEMBL1956867)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CC[N+]4(CC3)CC[N+](C)(C)CC4)c2n1 Show InChI InChI=1S/C34H45Cl2N5O5S/c1-24-22-25(2)37-32-26(24)6-5-7-29(32)46-23-27-28(35)8-9-30(31(27)36)47(43,44)38-34(10-20-45-21-11-34)33(42)39-12-14-41(15-13-39)18-16-40(3,4)17-19-41/h5-9,22,38H,10-21,23H2,1-4H3/q+2 | PDB
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415941
(CHEMBL1083872)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2ccncc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H45N5O2S/c1-28-11-12-31-26-34(45-33(31)24-28)35(43)40-37(15-5-6-16-37)36(44)39-32(25-29-8-3-2-4-9-29)10-7-19-41-20-22-42(23-21-41)27-30-13-17-38-18-14-30/h2-4,8-9,11-14,17-18,24,26,32H,5-7,10,15-16,19-23,25,27H2,1H3,(H,39,44)(H,40,43)/t32-/m0/s1 | PDB
Reactome pathway
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415960
(CHEMBL1083849)Show SMILES O=C(NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1cc2ccccc2s1 |r| Show InChI InChI=1S/C36H48N4O3S/c41-34(33-26-30-11-4-5-13-32(30)44-33)38-36(16-6-7-17-36)35(42)37-31(25-28-9-2-1-3-10-28)12-8-18-39-19-21-40(22-20-39)27-29-14-23-43-24-15-29/h1-5,9-11,13,26,29,31H,6-8,12,14-25,27H2,(H,37,42)(H,38,41)/t31-/m0/s1 | PDB
Reactome pathway
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415946
(CHEMBL1083866)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H48N4O3S/c1-27-11-12-29-26-33(44-32(29)24-27)34(41)38-36(15-5-6-16-36)35(42)37-30(25-28-8-3-2-4-9-28)10-7-17-39-18-20-40(21-19-39)31-13-22-43-23-14-31/h2-4,8-9,11-12,24,26,30-31H,5-7,10,13-23,25H2,1H3,(H,37,42)(H,38,41)/t30-/m0/s1 | PDB
Reactome pathway
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415968
(CHEMBL1083846)Show SMILES Clc1ccc2oc(cc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H47ClN4O4/c37-30-10-11-32-29(24-30)25-33(45-32)34(42)39-36(14-4-5-15-36)35(43)38-31(23-27-7-2-1-3-8-27)9-6-16-40-17-19-41(20-18-40)26-28-12-21-44-22-13-28/h1-3,7-8,10-11,24-25,28,31H,4-6,9,12-23,26H2,(H,38,43)(H,39,42)/t31-/m0/s1 | PDB
Reactome pathway
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| 0.251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415956
(CHEMBL1083855)Show SMILES CN(C1CCOCC1)C1CCN(CC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r| Show InChI InChI=1S/C37H50N4O3S/c1-27-10-11-29-26-34(45-33(29)24-27)35(42)39-37(17-6-7-18-37)36(43)38-30(25-28-8-4-3-5-9-28)12-19-41-20-13-31(14-21-41)40(2)32-15-22-44-23-16-32/h3-5,8-11,24,26,30-32H,6-7,12-23,25H2,1-2H3,(H,38,43)(H,39,42)/t30-/m0/s1 | PDB
Reactome pathway
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50412318
(CHEMBL447439 | MEN-15702)Show SMILES Cc1ccc(cc1)-c1ccc(cc1)C(=O)NC1(CCCC1)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC1CCN(CC2CCOCC2)CC1 |r| Show InChI InChI=1S/C41H52N4O4/c1-30-9-11-34(12-10-30)35-13-15-36(16-14-35)38(46)44-41(21-5-6-22-41)40(48)43-37(27-31-7-3-2-4-8-31)39(47)42-28-32-17-23-45(24-18-32)29-33-19-25-49-26-20-33/h2-4,7-16,32-33,37H,5-6,17-29H2,1H3,(H,42,47)(H,43,48)(H,44,46)/t37-/m1/s1 | PDB
Reactome pathway
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415942
(CHEMBL1083871)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2cccnc2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C37H45N5O2S/c1-28-13-14-31-25-34(45-33(31)23-28)35(43)40-37(15-5-6-16-37)36(44)39-32(24-29-9-3-2-4-10-29)12-8-18-41-19-21-42(22-20-41)27-30-11-7-17-38-26-30/h2-4,7,9-11,13-14,17,23,25-26,32H,5-6,8,12,15-16,18-22,24,27H2,1H3,(H,39,44)(H,40,43)/t32-/m0/s1 | PDB
Reactome pathway
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
B2 bradykinin receptor
(Homo sapiens (Human)) | BDBM50419893
(CHEMBL1956869)Show SMILES Cc1cc(C)c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)NC3(CCOCC3)C(=O)N3CCN(CCC[N+](C)(C)C)CC3)c2n1 Show InChI InChI=1S/C34H46Cl2N5O5S/c1-24-22-25(2)37-32-26(24)8-6-9-29(32)46-23-27-28(35)10-11-30(31(27)36)47(43,44)38-34(12-20-45-21-13-34)33(42)40-17-15-39(16-18-40)14-7-19-41(3,4)5/h6,8-11,22,38H,7,12-21,23H2,1-5H3/q+1 | PDB
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]-Bradykinin from human bradykinin B2 receptor expressed in CHO cells membrane after 60 mins by scintillation counting |
Bioorg Med Chem 20: 2091-100 (2012)
Article DOI: 10.1016/j.bmc.2012.01.036
BindingDB Entry DOI: 10.7270/Q2PN96WX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415963
(CHEMBL1083561)Show SMILES O=C(NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C38H50N4O3/c43-36(34-15-14-32-11-4-5-12-33(32)28-34)40-38(18-6-7-19-38)37(44)39-35(27-30-9-2-1-3-10-30)13-8-20-41-21-23-42(24-22-41)29-31-16-25-45-26-17-31/h1-5,9-12,14-15,28,31,35H,6-8,13,16-27,29H2,(H,39,44)(H,40,43)/t35-/m0/s1 | PDB
Reactome pathway
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415936
(CHEMBL1083877)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(Cc2nnn(C)n2)CC1)Cc1ccccc1 |r| Show InChI InChI=1S/C34H44N8O2S/c1-25-12-13-27-23-30(45-29(27)21-25)32(43)36-34(14-6-7-15-34)33(44)35-28(22-26-9-4-3-5-10-26)11-8-16-41-17-19-42(20-18-41)24-31-37-39-40(2)38-31/h3-5,9-10,12-13,21,23,28H,6-8,11,14-20,22,24H2,1-2H3,(H,35,44)(H,36,43)/t28-/m0/s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415933
(CHEMBL1084160)Show SMILES CN(C)S(=O)(=O)N1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r| Show InChI InChI=1S/C33H45N5O4S2/c1-25-13-14-27-24-30(43-29(27)22-25)31(39)35-33(15-7-8-16-33)32(40)34-28(23-26-10-5-4-6-11-26)12-9-17-37-18-20-38(21-19-37)44(41,42)36(2)3/h4-6,10-11,13-14,22,24,28H,7-9,12,15-21,23H2,1-3H3,(H,34,40)(H,35,39)/t28-/m0/s1 | PDB
Reactome pathway
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PubMed
| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415935
(CHEMBL1083878)Show SMILES CCOCCCN1CCN(CCC[C@@H](Cc2ccccc2)NC(=O)C2(CCCC2)NC(=O)c2cc3ccc(C)cc3s2)CC1 |r| Show InChI InChI=1S/C36H50N4O3S/c1-3-43-24-10-19-40-22-20-39(21-23-40)18-9-13-31(26-29-11-5-4-6-12-29)37-35(42)36(16-7-8-17-36)38-34(41)33-27-30-15-14-28(2)25-32(30)44-33/h4-6,11-12,14-15,25,27,31H,3,7-10,13,16-24,26H2,1-2H3,(H,37,42)(H,38,41)/t31-/m0/s1 | PDB
Reactome pathway
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| 0.316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50418029
(CHEMBL1683151)Show SMILES O=C(NC1(CCCC1)C(=O)N[C@H](CCCN1CCN(CC2CCOCC2)CC1)Cc1ccccc1)c1ccc2ccccc2c1 |r| Show InChI InChI=1S/C38H50N4O3/c43-36(34-15-14-32-11-4-5-12-33(32)28-34)40-38(18-6-7-19-38)37(44)39-35(27-30-9-2-1-3-10-30)13-8-20-41-21-23-42(24-22-41)29-31-16-25-45-26-17-31/h1-5,9-12,14-15,28,31,35H,6-8,13,16-27,29H2,(H,39,44)(H,40,43)/t35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [125I]neurokinin A from human NK2 receptor after 30 mins |
Bioorg Med Chem Lett 21: 1807-9 (2011)
Article DOI: 10.1016/j.bmcl.2011.01.074
BindingDB Entry DOI: 10.7270/Q2CN755J |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50415926
(CHEMBL1084158)Show SMILES Cc1ccc2cc(sc2c1)C(=O)NC1(CCCC1)C(=O)N[C@@H](CCCN1CCN(CC1)C(=O)N1CCOCC1)Cc1ccccc1 |r| Show InChI InChI=1S/C36H47N5O4S/c1-27-11-12-29-26-32(46-31(29)24-27)33(42)38-36(13-5-6-14-36)34(43)37-30(25-28-8-3-2-4-9-28)10-7-15-39-16-18-40(19-17-39)35(44)41-20-22-45-23-21-41/h2-4,8-9,11-12,24,26,30H,5-7,10,13-23,25H2,1H3,(H,37,43)(H,38,42)/t30-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche
Curated by ChEMBL
| Assay Description
Displacement of [3H]neurokinin A from human NK2 receptor |
J Med Chem 53: 4148-65 (2010)
Article DOI: 10.1021/jm100176s
BindingDB Entry DOI: 10.7270/Q2MP54JT |
More data for this
Ligand-Target Pair | |
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