Found 46 hits of ki for UniProtKB: Q64077 Target/Host
(Institution) | Ligand | Target/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 | pH | Temp
°C |
|---|
Substance-K receptor
(GUINEA PIG) | BDBM50116083
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.200 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116082
(3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116076
(CHEMBL441252 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4'...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116091
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+/t23?,28-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116074
(CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.300 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 1 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116078
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.400 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116080
(3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.400 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116088
(3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+/t23?,29-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.600 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116090
(1-(2-{1'-[5-[(3,5-Dichloro-benzoyl)-ethyl-amino]-3...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)C2CCN(C)CC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C38H49Cl4N5O4/c1-44-14-8-25(9-15-44)36(48)22-27-5-4-13-47(38(27)50)31-10-16-46(17-11-31)18-12-32(26-6-7-33(41)34(42)21-26)35(43-51-3)24-45(2)37(49)28-19-29(39)23-30(40)20-28/h6-7,19-21,23,25,27,31-32H,4-5,8-18,22,24H2,1-3H3/b43-35+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.700 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116075
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+/t25-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.800 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116075
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@H](CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+/t25-/m1/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.800 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116087
(3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+/t25?,30-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.800 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116085
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CNC(=O)CC1CCCN(C2CCN(CC[C@H](\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+/t22?,27-/m0/s1 | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 0.900 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116089
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-5-(3-dimet...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N(C)C)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C34H43Cl4N5O4/c1-40(2)32(44)19-23-6-5-12-43(34(23)46)27-9-13-42(14-10-27)15-11-28(22-7-8-29(37)30(38)18-22)31(39-47-4)21-41(3)33(45)24-16-25(35)20-26(36)17-24/h7-8,16-18,20,23,27-28H,5-6,9-15,19,21H2,1-4H3/b39-31+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116077
(3,5-Dichloro-N-{3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N2CCOCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H45Cl4N5O5/c1-42(35(47)26-18-27(37)22-28(38)19-26)23-33(41-49-2)30(24-5-6-31(39)32(40)20-24)9-13-43-11-7-29(8-12-43)45-10-3-4-25(36(45)48)21-34(46)44-14-16-50-17-15-44/h5-6,18-20,22,25,29-30H,3-4,7-17,21,23H2,1-2H3/b41-33+ | PDB
UniProtKB/SwissProt
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1 | 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
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM81942
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69) | PDB
UniProtKB/SwissProt
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PC cid
PC sid
UniChem
Similars
| PubMed
| 1.30 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 236: 819-31 (1986)
BindingDB Entry DOI: 10.7270/Q2D50KFX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50110663
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-[(Z)-met...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCCC1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C30H36Cl4N4O3/c1-36(30(40)21-15-22(31)18-23(32)16-21)19-28(35-41-2)25(20-6-7-26(33)27(34)17-20)10-14-37-12-8-24(9-13-37)38-11-4-3-5-29(38)39/h6-7,15-18,24-25H,3-5,8-14,19H2,1-2H3/b35-28+ | PDB
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The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50366786
(CHEMBL540651)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)[S+]2CCNCC2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C36H46Cl4N5O4S/c1-43(35(47)26-18-27(37)22-28(38)19-26)23-33(42-49-2)30(24-5-6-31(39)32(40)20-24)9-15-44-13-7-29(8-14-44)45-12-3-4-25(36(45)48)21-34(46)50-16-10-41-11-17-50/h5-6,18-20,22,25,29-30,41H,3-4,7-17,21,23H2,1-2H3/q+1/b42-33+ | PDB
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The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116084
(3,5-Dichloro-N-[3-(3,4-dichloro-phenyl)-2-methoxyi...)Show SMILES CNC(=O)CC1CCCN(C2CCN(CCC(\C(CN(C)C(=O)c3cc(Cl)cc(Cl)c3)=N\OC)c3ccc(Cl)c(Cl)c3)CC2)C1=O Show InChI InChI=1S/C33H41Cl4N5O4/c1-38-31(43)18-22-5-4-11-42(33(22)45)26-8-12-41(13-9-26)14-10-27(21-6-7-28(36)29(37)17-21)30(39-46-3)20-40(2)32(44)23-15-24(34)19-25(35)16-23/h6-7,15-17,19,22,26-27H,4-5,8-14,18,20H2,1-3H3,(H,38,43)/b39-30+ | PDB
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The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116086
(3,5-Dichloro-N-(3-(3,4-dichloro-phenyl)-5-{3-[2-(2...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)C(CCN1CCC(CC1)N1CCCC(CC(=O)N2CC(O)C2)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C35H43Cl4N5O5/c1-41(34(47)24-14-25(36)18-26(37)15-24)21-32(40-49-2)29(22-5-6-30(38)31(39)16-22)9-13-42-11-7-27(8-12-42)44-10-3-4-23(35(44)48)17-33(46)43-19-28(45)20-43/h5-6,14-16,18,23,27-29,45H,3-4,7-13,17,19-21H2,1-2H3/b40-32+ | PDB
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The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM81942
(CAS_55582 | NKA | NSC_55582 | Neurokinin alpha | S...)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CO)NC(=O)C(CC(O)=O)NC(=O)C(NC(=O)C(CCCCN)NC(=O)C(N)Cc1cnc[nH]1)C(C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69) | PDB
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Sanofi-Synthélabo Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 303: 1171-9 (2002)
Article DOI: 10.1124/jpet.102.040162
BindingDB Entry DOI: 10.7270/Q23J3BJH |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50470591
(CHEMBL124208)Show SMILES Fc1ccc2[nH]cc(CCN3CCC4(CN(Cc5ccccc5)C(=O)O4)CC3)c2c1 Show InChI InChI=1S/C24H26FN3O2/c25-20-6-7-22-21(14-20)19(15-26-22)8-11-27-12-9-24(10-13-27)17-28(23(29)30-24)16-18-4-2-1-3-5-18/h1-7,14-15,26H,8-13,16-17H2 | PDB
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Glaxo Wellcome Medicines Research Centre
Curated by ChEMBL
| Assay Description
The compound was tested for binding affinity against Tachykinin receptor 2 from guinea pig trachea |
J Med Chem 38: 3772-9 (1995)
Article DOI: 10.1021/jm00019a006
BindingDB Entry DOI: 10.7270/Q2JM2DCF |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50116074
(CHEMBL66635 | N-[5-(3-Carbamoylmethyl-2-oxo-[1,4']...)Show SMILES CO\N=C(/CN(C)C(=O)c1cc(Cl)cc(Cl)c1)[C@@H](CCN1CCC(CC1)N1CCCC(CC(N)=O)C1=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C32H39Cl4N5O4/c1-39(31(43)22-14-23(33)18-24(34)15-22)19-29(38-45-2)26(20-5-6-27(35)28(36)16-20)9-13-40-11-7-25(8-12-40)41-10-3-4-21(32(41)44)17-30(37)42/h5-6,14-16,18,21,25-26H,3-4,7-13,17,19H2,1-2H3,(H2,37,42)/b38-29+/t21?,26-/m0/s1 | PDB
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The Schering Plough Research Institute
Curated by ChEMBL
| Assay Description
In vitro binding to Tachykinin receptor 2 |
Bioorg Med Chem Lett 12: 2125-8 (2002)
BindingDB Entry DOI: 10.7270/Q2JQ11JS |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM81943
(CAS_45749 | NSC_45749 | kassinin)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCC(N)=O)NC(=O)C(CC(O)=O)NC(=O)C(CO)NC(=O)C(CCCCN)NC(=O)C1CCCN1C(=O)C(NC(=O)C(N)CC(O)=O)C(C)C)C(C)C)C(N)=O Show InChI InChI=1S/C59H95N15O18S/c1-30(2)24-38(53(86)66-35(49(63)82)20-23-93-7)65-44(77)28-64-58(91)47(31(3)4)72-55(88)39(25-33-14-9-8-10-15-33)69-52(85)37(18-19-43(62)76)67-54(87)40(27-46(80)81)70-56(89)41(29-75)71-51(84)36(16-11-12-21-60)68-57(90)42-17-13-22-74(42)59(92)48(32(5)6)73-50(83)34(61)26-45(78)79/h8-10,14-15,30-32,34-42,47-48,75H,11-13,16-29,60-61H2,1-7H3,(H2,62,76)(H2,63,82)(H,64,91)(H,65,77)(H,66,86)(H,67,87)(H,68,90)(H,69,85)(H,70,89)(H,71,84)(H,72,88)(H,73,83)(H,78,79)(H,80,81) | PDB
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 236: 819-31 (1986)
BindingDB Entry DOI: 10.7270/Q2D50KFX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50194558
(CHEMBL373569 | ELEDOISIN)Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCC(=O)N1)C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O Show InChI InChI=1S/C54H85N13O15S/c1-7-30(4)44(53(81)57-27-42(70)60-36(24-29(2)3)49(77)61-33(45(56)73)20-23-83-6)66-50(78)37(25-32-14-9-8-10-15-32)63-46(74)31(5)58-48(76)38(26-43(71)72)64-47(75)34(16-11-12-21-55)62-51(79)39(28-68)65-52(80)40-17-13-22-67(40)54(82)35-18-19-41(69)59-35/h8-10,14-15,29-31,33-40,44,68H,7,11-13,16-28,55H2,1-6H3,(H2,56,73)(H,57,81)(H,58,76)(H,59,69)(H,60,70)(H,61,77)(H,62,79)(H,63,74)(H,64,75)(H,65,80)(H,66,78)(H,71,72)/t30-,31-,33-,34-,35-,36-,37-,38-,39-,40-,44-/m0/s1 | PDB
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 236: 819-31 (1986)
BindingDB Entry DOI: 10.7270/Q2D50KFX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50003001
(CHEMBL394419)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCc2ccccc12)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O4S/c40-32(36-17-8-18-39-19-21-43-22-20-39)29(23-25-9-2-1-3-10-25)37-34(42)35(16-15-26-11-4-6-13-28(26)35)38-33(41)31-24-27-12-5-7-14-30(27)44-31/h1-7,9-14,24,29H,8,15-23H2,(H,36,40)(H,37,42)(H,38,41)/t29-,35?/m1/s1 | PDB
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Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002943
(CHEMBL394878)Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(CCc3ccccc23)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C36H41N5O3S/c1-40-20-22-41(23-21-40)19-9-18-37-33(42)30(24-26-10-3-2-4-11-26)38-35(44)36(17-16-27-12-5-7-14-29(27)36)39-34(43)32-25-28-13-6-8-15-31(28)45-32/h2-8,10-15,25,30H,9,16-24H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-,36?/m1/s1 | PDB
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Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002935
(CHEMBL242631 | MEN-14268)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C31H38N4O4S/c36-28(32-15-8-16-35-17-19-39-20-18-35)25(21-23-9-2-1-3-10-23)33-30(38)31(13-6-7-14-31)34-29(37)27-22-24-11-4-5-12-26(24)40-27/h1-5,9-12,22,25H,6-8,13-21H2,(H,32,36)(H,33,38)(H,34,37)/t25-/m1/s1 | PDB
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Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM86055
(SSR240600)Show SMILES CC(C)(C1CCN(CCC2(CN(CCO2)C(=O)Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)c2ccc(Cl)c(Cl)c2)CC1)C(N)=O Show InChI InChI=1S/C31H35Cl2F6N3O3/c1-28(2,27(40)44)20-5-8-41(9-6-20)10-7-29(21-3-4-24(32)25(33)17-21)18-42(11-12-45-29)26(43)15-19-13-22(30(34,35)36)16-23(14-19)31(37,38)39/h3-4,13-14,16-17,20H,5-12,15,18H2,1-2H3,(H2,40,44) | PDB
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Sanofi-Synthélabo Recherche
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 303: 1171-9 (2002)
Article DOI: 10.1124/jpet.102.040162
BindingDB Entry DOI: 10.7270/Q23J3BJH |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50051290
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3 | PDB
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Sanofi Recherche
Curated by PDSP Ki Database
| |
Life Sci 56: -32 (1995)
Article DOI: 10.1016/0024-3205(94)00413-m
BindingDB Entry DOI: 10.7270/Q2PV6HV4 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002957
(CHEMBL398028)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O4S/c40-32(36-15-8-16-39-17-19-43-20-18-39)29(21-25-9-2-1-3-10-25)37-34(42)35(23-27-12-4-5-13-28(27)24-35)38-33(41)31-22-26-11-6-7-14-30(26)44-31/h1-7,9-14,22,29H,8,15-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1 | PDB
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Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002941
(CHEMBL428203)Show SMILES O=C(NCCCN1CCOCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O4S/c37-29(33-16-9-17-36-18-20-40-21-19-36)26(22-24-10-3-1-4-11-24)34-31(39)32(14-7-2-8-15-32)35-30(38)28-23-25-12-5-6-13-27(25)41-28/h1,3-6,10-13,23,26H,2,7-9,14-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m1/s1 | PDB
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Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002961
(CHEMBL237048)Show SMILES CN1CCN(CCCNC(=O)[C@@H](Cc2ccccc2)NC(=O)C2(Cc3ccccc3C2)NC(=O)c2cc3ccccc3s2)CC1 Show InChI InChI=1S/C36H41N5O3S/c1-40-18-20-41(21-19-40)17-9-16-37-33(42)30(22-26-10-3-2-4-11-26)38-35(44)36(24-28-13-5-6-14-29(28)25-36)39-34(43)32-23-27-12-7-8-15-31(27)45-32/h2-8,10-15,23,30H,9,16-22,24-25H2,1H3,(H,37,42)(H,38,44)(H,39,43)/t30-/m1/s1 | PDB
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Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002940
(CHEMBL237097)Show SMILES CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C36H50N4O3S/c1-3-5-23-40(24-6-4-2)25-15-22-37-33(41)30(26-28-16-9-7-10-17-28)38-35(43)36(20-13-8-14-21-36)39-34(42)32-27-29-18-11-12-19-31(29)44-32/h7,9-12,16-19,27,30H,3-6,8,13-15,20-26H2,1-2H3,(H,37,41)(H,38,43)(H,39,42)/t30-/m1/s1 | PDB
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Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM81944
(CAS_86933-75-7 | NKB | NSC_5311312 | neuromedin K)Show SMILES CSCCC(NC(=O)C(CC(C)C)NC(=O)CNC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(Cc1ccccc1)NC(=O)C(CC(O)=O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(CCSC)NC(=O)C(N)CC(O)=O)C(C)C)C(N)=O Show InChI InChI=1S/C55H79N13O14S2/c1-30(2)21-38(50(77)62-36(47(57)74)17-19-83-5)61-43(69)28-59-55(82)46(31(3)4)68-54(81)40(23-33-15-11-8-12-16-33)65-51(78)39(22-32-13-9-7-10-14-32)64-53(80)42(26-45(72)73)67-52(79)41(24-34-27-58-29-60-34)66-49(76)37(18-20-84-6)63-48(75)35(56)25-44(70)71/h7-16,27,29-31,35-42,46H,17-26,28,56H2,1-6H3,(H2,57,74)(H,58,60)(H,59,82)(H,61,69)(H,62,77)(H,63,75)(H,64,80)(H,65,78)(H,66,76)(H,67,79)(H,68,81)(H,70,71)(H,72,73) | PDB
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 236: 819-31 (1986)
BindingDB Entry DOI: 10.7270/Q2D50KFX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50001450
((SP)Arg-Pro-Lys-Pro-Gln-Gln-Phe-Phe-Gly-Leu-Met-NH...)Show SMILES [#6]-[#16]-[#6]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#6])-[#6])-[#7]-[#6](=O)-[#6]-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@H](-[#6]-[#6]-[#6]-[#6]-[#7])-[#7]-[#6](=O)-[#6@@H]-1-[#6]-[#6]-[#6]-[#7]-1-[#6](=O)-[#6@@H](-[#7])-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |r| Show InChI InChI=1S/C63H98N18O13S/c1-37(2)33-45(57(89)74-41(53(68)85)27-32-95-3)73-52(84)36-72-54(86)46(34-38-15-6-4-7-16-38)78-58(90)47(35-39-17-8-5-9-18-39)79-56(88)42(23-25-50(66)82)75-55(87)43(24-26-51(67)83)76-59(91)49-22-14-31-81(49)62(94)44(20-10-11-28-64)77-60(92)48-21-13-30-80(48)61(93)40(65)19-12-29-71-63(69)70/h4-9,15-18,37,40-49H,10-14,19-36,64-65H2,1-3H3,(H2,66,82)(H2,67,83)(H2,68,85)(H,72,86)(H,73,84)(H,74,89)(H,75,87)(H,76,91)(H,77,92)(H,78,90)(H,79,88)(H4,69,70,71)/t40-,41-,42-,43-,44-,45-,46-,47-,48-,49-/m0/s1 | PDB
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National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 236: 819-31 (1986)
BindingDB Entry DOI: 10.7270/Q2D50KFX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50003000
(CHEMBL394889)Show SMILES CC1CCCCN1CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C34H44N4O3S/c1-25-13-8-11-21-38(25)22-12-20-35-31(39)28(23-26-14-4-2-5-15-26)36-33(41)34(18-9-3-10-19-34)37-32(40)30-24-27-16-6-7-17-29(27)42-30/h2,4-7,14-17,24-25,28H,3,8-13,18-23H2,1H3,(H,35,39)(H,36,41)(H,37,40)/t25?,28-/m1/s1 | PDB
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Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002936
(CHEMBL394420)Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C35H38N4O3S/c40-32(36-17-10-20-39-18-8-9-19-39)29(21-25-11-2-1-3-12-25)37-34(42)35(23-27-14-4-5-15-28(27)24-35)38-33(41)31-22-26-13-6-7-16-30(26)43-31/h1-7,11-16,22,29H,8-10,17-21,23-24H2,(H,36,40)(H,37,42)(H,38,41)/t29-/m1/s1 | PDB
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Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002996
(CHEMBL396827)Show SMILES CCCCN(CCCC)CCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)C1(Cc2ccccc2C1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C39H48N4O3S/c1-3-5-22-43(23-6-4-2)24-14-21-40-36(44)33(25-29-15-8-7-9-16-29)41-38(46)39(27-31-18-10-11-19-32(31)28-39)42-37(45)35-26-30-17-12-13-20-34(30)47-35/h7-13,15-20,26,33H,3-6,14,21-25,27-28H2,1-2H3,(H,40,44)(H,41,46)(H,42,45)/t33-/m1/s1 | PDB
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| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50281563
(CHEMBL414786 | pGlu-Ala-Asp-Pro-Asn-Lys-Phe-Tyr-Gl...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(N)=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(O)=O)NC(=O)[C@H](C)NC(=O)C1CCC(=O)N1)C(N)=O Show InChI InChI=1S/C58H84N14O16S/c1-31(2)25-39(54(84)66-36(49(61)79)21-24-89-4)65-47(76)30-62-51(81)40(27-34-15-17-35(73)18-16-34)68-55(85)41(26-33-11-6-5-7-12-33)69-53(83)37(13-8-9-22-59)67-56(86)42(28-45(60)74)70-57(87)44-14-10-23-72(44)58(88)43(29-48(77)78)71-50(80)32(3)63-52(82)38-19-20-46(75)64-38/h5-7,11-12,15-18,31-32,36-44,73H,8-10,13-14,19-30,59H2,1-4H3,(H2,60,74)(H2,61,79)(H,62,81)(H,63,82)(H,64,75)(H,65,76)(H,66,84)(H,67,86)(H,68,85)(H,69,83)(H,70,87)(H,71,80)(H,77,78)/t32-,36-,37-,38?,39-,40-,41-,42-,43-,44-/m0/s1 | PDB
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| 340 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
National Institutes of Health
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 236: 819-31 (1986)
BindingDB Entry DOI: 10.7270/Q2D50KFX |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50051290
(CHEMBL299377 | N-(1-{3-[1-Benzoyl-3-(3,4-dichloro-...)Show SMILES CN(C(C)=O)C1(CCN(CCCC2(CCCN(C2)C(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 Show InChI InChI=1S/C35H41Cl2N3O2/c1-27(41)38(2)35(29-13-7-4-8-14-29)19-23-39(24-20-35)21-9-17-34(30-15-16-31(36)32(37)25-30)18-10-22-40(26-34)33(42)28-11-5-3-6-12-28/h3-8,11-16,25H,9-10,17-24,26H2,1-2H3 | PDB
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Sanofi Recherche
Curated by PDSP Ki Database
| |
Life Sci 56: -32 (1995)
Article DOI: 10.1016/0024-3205(94)00413-m
BindingDB Entry DOI: 10.7270/Q2PV6HV4 |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002998
(CHEMBL236661)Show SMILES NCCCCCCNC(=O)C(Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C31H40N4O3S/c32-19-11-1-2-12-20-33-28(36)25(21-23-13-5-3-6-14-23)34-30(38)31(17-9-4-10-18-31)35-29(37)27-22-24-15-7-8-16-26(24)39-27/h3,5-8,13-16,22,25H,1-2,4,9-12,17-21,32H2,(H,33,36)(H,34,38)(H,35,37) | PDB
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| <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002950
(CHEMBL237304)Show SMILES O=C(NCCCN1CCCC1)[C@@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C32H40N4O3S/c37-29(33-18-11-21-36-19-9-10-20-36)26(22-24-12-3-1-4-13-24)34-31(39)32(16-7-2-8-17-32)35-30(38)28-23-25-14-5-6-15-27(25)40-28/h1,3-6,12-15,23,26H,2,7-11,16-22H2,(H,33,37)(H,34,39)(H,35,38)/t26-/m1/s1 | PDB
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| <1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50002937
(CHEMBL394648)Show SMILES CC1CCCCN1CCCNC(=O)[C@H](Cc1ccccc1)NC(=O)C1(CCCCC1)NC(=O)c1cc2ccccc2s1 Show InChI InChI=1S/C34H44N4O3S/c1-25-13-8-11-21-38(25)22-12-20-35-31(39)28(23-26-14-4-2-5-15-26)36-33(41)34(18-9-3-10-19-34)37-32(40)30-24-27-16-6-7-17-29(27)42-30/h2,4-7,14-17,24-25,28H,3,8-13,18-23H2,1H3,(H,35,39)(H,36,41)(H,37,40)/t25?,28-/m0/s1 | PDB
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| <3.16E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Menarini Ricerche SpA
Curated by ChEMBL
| Assay Description
Agonist activity at NK2 receptor in guinea pig smooth muscle |
Bioorg Med Chem Lett 17: 4841-4 (2007)
Checked by Author
Article DOI: 10.1016/j.bmcl.2007.06.053
BindingDB Entry DOI: 10.7270/Q22F7PXR |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM50001447
(CHEMBL217406 | His-Lys-Thr-Asp-Ser-Phe-Val-Gly-Leu...)Show SMILES CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H](NC(=O)[C@H](CCCCN)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)C(C)C)C(N)=O Show InChI InChI=1S/C50H80N14O14S/c1-26(2)18-34(45(73)58-32(42(53)70)15-17-79-6)57-38(67)23-55-49(77)40(27(3)4)63-47(75)35(19-29-12-8-7-9-13-29)60-48(76)37(24-65)62-46(74)36(21-39(68)69)61-50(78)41(28(5)66)64-44(72)33(14-10-11-16-51)59-43(71)31(52)20-30-22-54-25-56-30/h7-9,12-13,22,25-28,31-37,40-41,65-66H,10-11,14-21,23-24,51-52H2,1-6H3,(H2,53,70)(H,54,56)(H,55,77)(H,57,67)(H,58,73)(H,59,71)(H,60,76)(H,61,78)(H,62,74)(H,63,75)(H,64,72)(H,68,69)/t28-,31+,32+,33+,34+,35+,36+,37+,40+,41+/m1/s1 | PDB
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| 3.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Central Research
Curated by ChEMBL
| Assay Description
Evaluated for the binding affinity against NK2 receptor |
J Med Chem 36: 3197-201 (1993)
BindingDB Entry DOI: 10.7270/Q29887NM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(GUINEA PIG) | BDBM85845
(N-[(S)-1-Phenylpropyl]-2-phenyl-3-(carboxymethoxy)...)Show SMILES CC[C@H](NC(=O)c1c(OCC(O)=O)c(nc2ccccc12)-c1ccccc1)c1ccccc1 Show InChI InChI=1S/C27H24N2O4/c1-2-21(18-11-5-3-6-12-18)29-27(32)24-20-15-9-10-16-22(20)28-25(19-13-7-4-8-14-19)26(24)33-17-23(30)31/h3-16,21H,2,17H2,1H3,(H,29,32)(H,30,31)/t21-/m0/s1 | PDB
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| >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
GlaxoSmithKline
Curated by PDSP Ki Database
| |
J Pharmacol Exp Ther 300: 314-23 (2002)
Article DOI: 10.1124/jpet.300.1.314
BindingDB Entry DOI: 10.7270/Q2SB449D |
More data for this
Ligand-Target Pair | |
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