Found 18 hits Enz. Inhib. hit(s) with all data for entry = 50016585 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 |
|---|
Substance-K receptor
(Homo sapiens (Human)) | BDBM50170969
((S)-1-(1-Cyclopropyl-cyclopentyl)-5-(3,4-dichloro-...)Show SMILES Clc1ccc(cc1Cl)[C@@]1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(C1)C1(CCCC1)C1CC1 Show InChI InChI=1S/C28H39Cl2N3O2/c29-24-6-5-22(17-25(24)30)27(11-12-31-18-23(19-31)32-13-15-35-16-14-32)10-7-26(34)33(20-27)28(21-3-4-21)8-1-2-9-28/h5-6,17,21,23H,1-4,7-16,18-20H2/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 9.50E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Ki for human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50170967
((S)-1-(1-Cyclopropyl-cyclopentyl)-5-(3,4-dichloro-...)Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(C2)C2(CCCC2)C2CC2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C29H40Cl2FN3O/c30-25-6-5-22(17-26(25)31)28(13-16-33-18-24(19-33)34-14-8-23(32)9-15-34)12-7-27(36)35(20-28)29(21-3-4-21)10-1-2-11-29/h5-6,17,21,23-24H,1-4,7-16,18-20H2/t28-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Ki for human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50170968
((S)-5-(3,4-Dichloro-phenyl)-1-(4,4-difluoro-cycloh...)Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H38Cl2F3N3O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(31)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(32,33)10-4-20/h1-2,15,20,22-23H,3-14,16-19H2/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | 0.400 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50409627
(CHEMBL185572)Show SMILES Clc1ccc(cc1Cl)[C@@]1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CCCCC2)C1 Show InChI InChI=1S/C27H39Cl2N3O2/c28-24-7-6-22(16-25(24)29)27(10-11-30-18-23(19-30)31-12-14-34-15-13-31)9-8-26(33)32(20-27)17-21-4-2-1-3-5-21/h6-7,16,21,23H,1-5,8-15,17-20H2/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 0.790 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410049
(CHEMBL434142)Show SMILES NC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H40Cl2F2N4O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(33)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22-23H,3-14,16-19,33H2/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410051
(CHEMBL185182)Show SMILES CS(=O)(=O)N1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H40Cl2F2N4O3S/c1-40(38,39)36-14-12-34(13-15-36)23-18-33(19-23)11-10-27(22-2-3-24(29)25(30)16-22)7-6-26(37)35(20-27)17-21-4-8-28(31,32)9-5-21/h2-3,16,21,23H,4-15,17-20H2,1H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410048
(CHEMBL434548)Show SMILES OC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H39Cl2F2N3O2/c29-24-2-1-21(15-25(24)30)27(11-14-33-17-22(18-33)34-12-6-23(36)7-13-34)8-5-26(37)35(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22-23,36H,3-14,16-19H2/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 1.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410054
(CHEMBL185133)Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CCC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C26H36Cl2FN3O/c27-23-4-3-20(15-24(23)28)26(9-5-25(33)32(18-26)11-6-19-1-2-19)10-14-30-16-22(17-30)31-12-7-21(29)8-13-31/h3-4,15,19,21-22H,1-2,5-14,16-18H2/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 2.5 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410052
(CHEMBL367815)Show SMILES FC1(F)CCC(CN2C[C@](CCN3CC(C3)N3CCC(=O)CC3)(CCC2=O)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C28H37Cl2F2N3O2/c29-24-2-1-21(15-25(24)30)27(11-14-33-17-22(18-33)34-12-6-23(36)7-13-34)8-5-26(37)35(19-27)16-20-3-9-28(31,32)10-4-20/h1-2,15,20,22H,3-14,16-19H2/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 3.20 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410047
(CHEMBL365613 | UK-224671)Show SMILES NS(=O)(=O)N1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C24H35Cl2N5O3S/c25-21-4-3-19(13-22(21)26)24(6-5-23(32)30(17-24)14-18-1-2-18)7-8-28-15-20(16-28)29-9-11-31(12-10-29)35(27,33)34/h3-4,13,18,20H,1-2,5-12,14-17H2,(H2,27,33,34)/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410046
(CHEMBL367348)Show SMILES NC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C25H36Cl2N4O/c26-22-4-3-19(13-23(22)27)25(8-5-24(32)31(17-25)14-18-1-2-18)9-12-29-15-21(16-29)30-10-6-20(28)7-11-30/h3-4,13,18,20-21H,1-2,5-12,14-17,28H2/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 6.30 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410058
(CHEMBL185452)Show SMILES CS(=O)(=O)N1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C25H36Cl2N4O3S/c1-35(33,34)31-12-10-29(11-13-31)21-16-28(17-21)9-8-25(20-4-5-22(26)23(27)14-20)7-6-24(32)30(18-25)15-19-2-3-19/h4-5,14,19,21H,2-3,6-13,15-18H2,1H3/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410057
(CHEMBL359655)Show SMILES FC1(F)CCC(CN2C[C@](CCN3CC(C3)N3CCOCC3)(CCC2=O)c2ccc(Cl)c(Cl)c2)CC1 Show InChI InChI=1S/C27H37Cl2F2N3O2/c28-23-2-1-21(15-24(23)29)26(9-10-32-17-22(18-32)33-11-13-36-14-12-33)6-5-25(35)34(19-26)16-20-3-7-27(30,31)8-4-20/h1-2,15,20,22H,3-14,16-19H2/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 7.90 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410050
(CHEMBL359903)Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C25H34Cl2FN3O/c26-22-4-3-19(13-23(22)27)25(8-5-24(32)31(17-25)14-18-1-2-18)9-12-29-15-21(16-29)30-10-6-20(28)7-11-30/h3-4,13,18,20-21H,1-2,5-12,14-17H2/t25-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 10 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410056
(CHEMBL185007)Show SMILES CN(C)S(=O)(=O)N1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C26H39Cl2N5O3S/c1-29(2)37(35,36)33-13-11-31(12-14-33)22-17-30(18-22)10-9-26(21-5-6-23(27)24(28)15-21)8-7-25(34)32(19-26)16-20-3-4-20/h5-6,15,20,22H,3-4,7-14,16-19H2,1-2H3/t26-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410055
(CHEMBL180049)Show SMILES CCOC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C27H39Cl2N3O2/c1-2-34-23-8-12-31(13-9-23)22-17-30(18-22)14-11-27(21-5-6-24(28)25(29)15-21)10-7-26(33)32(19-27)16-20-3-4-20/h5-6,15,20,22-23H,2-4,7-14,16-19H2,1H3/t27-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 16 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-K receptor
(Homo sapiens (Human)) | BDBM50410053
(CHEMBL360721)Show SMILES Clc1ccc(cc1Cl)[C@@]1(CCN2CC(C2)N2CCOCC2)CCC(=O)N(CC2CC2)C1 Show InChI InChI=1S/C24H33Cl2N3O2/c25-21-4-3-19(13-22(21)26)24(6-5-23(30)29(17-24)14-18-1-2-18)7-8-27-15-20(16-27)28-9-11-31-12-10-28/h3-4,13,18,20H,1-2,5-12,14-17H2/t24-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| n/a | n/a | 79 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibition of human Neurokinin 2 receptor |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50170968
((S)-5-(3,4-Dichloro-phenyl)-1-(4,4-difluoro-cycloh...)Show SMILES FC1CCN(CC1)C1CN(CC[C@@]2(CCC(=O)N(CC3CCC(F)(F)CC3)C2)c2ccc(Cl)c(Cl)c2)C1 Show InChI InChI=1S/C28H38Cl2F3N3O/c29-24-2-1-21(15-25(24)30)27(11-14-34-17-23(18-34)35-12-6-22(31)7-13-35)8-5-26(37)36(19-27)16-20-3-9-28(32,33)10-4-20/h1-2,15,20,22-23H,3-14,16-19H2/t27-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| n/a | n/a | >1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a |
Pfizer Global Research and Development
Curated by ChEMBL
| Assay Description
Inhibitory concentration for Tachykinin 1 receptor of human IM9 cells |
Bioorg Med Chem Lett 15: 3957-61 (2005)
Article DOI: 10.1016/j.bmcl.2005.05.134
BindingDB Entry DOI: 10.7270/Q20G3JQM |
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Ligand-Target Pair | |
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