Found 40 hits Enz. Inhib. hit(s) with all data for entry = 50044536 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 |
|---|
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50445820
(CHEMBL3104783)Show SMILES CN(Cc1ccc(Cl)cc1)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C31H31Cl3FN3O3/c1-36(19-20-3-6-22(32)7-4-20)29(39)24(21-5-9-26(33)27(34)17-21)11-14-38-15-12-31(13-16-38)25-18-23(35)8-10-28(25)37(2)30(40)41-31/h3-10,17-18,24H,11-16,19H2,1-2H3/t24-/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 |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50445819
(CHEMBL3104785)Show SMILES CCCN(C1CCN(CCC(C)(C(=O)N[C@@H](CO)c2ccc(F)cc2)c2ccc(Cl)c(Cl)c2)CC1)C(C)=O |r| Show InChI InChI=1S/C29H38Cl2FN3O3/c1-4-14-35(20(2)37)24-11-15-34(16-12-24)17-13-29(3,22-7-10-25(30)26(31)18-22)28(38)33-27(19-36)21-5-8-23(32)9-6-21/h5-10,18,24,27,36H,4,11-17,19H2,1-3H3,(H,33,38)/t27-,29?/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 0.501 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020120
(CHEMBL3288169)Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42(2)31(32(45)41-17-16-40)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-30(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,31H,13-21,40H2,1-3H3,(H,41,45);(H,6,7)/t31-,35-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020118
(CHEMBL3288167)Show SMILES CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H39Cl2FN4O5/c1-34(24-8-10-27(36)28(37)21-24,32(45)40-29(31(44)39-15-19-43)20-23-6-4-3-5-7-23)12-16-42-17-13-35(14-18-42)26-22-25(38)9-11-30(26)41(2)33(46)47-35/h3-11,21-22,29,43H,12-20H2,1-2H3,(H,39,44)(H,40,45)/t29-,34-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 2.5 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020127
(CHEMBL3288170)Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4.C2HF3O2/c1-36(26-10-12-29(38)30(39)23-26,34(47)43(2)32(33(46)42-18-7-17-41)22-25-8-5-4-6-9-25)14-19-45-20-15-37(16-21-45)28-24-27(40)11-13-31(28)44(3)35(48)49-37;3-2(4,5)1(6)7/h4-6,8-13,23-24,32H,7,14-22,41H2,1-3H3,(H,42,46);(H,6,7)/t32-,36-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020120
(CHEMBL3288169)Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42(2)31(32(45)41-17-16-40)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-30(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,31H,13-21,40H2,1-3H3,(H,41,45);(H,6,7)/t31-,35-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 7.90 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020112
(CHEMBL3288165)Show SMILES OC(=O)C(F)(F)F.CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42-30(32(45)41-17-16-40-2)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-31(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,30,40H,13-21H2,1-3H3,(H,41,45)(H,42,46);(H,6,7)/t30-,35-;/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
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020119
(CHEMBL3288168)Show SMILES CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C36H41Cl2FN4O5/c1-35(25-9-11-28(37)29(38)22-25,33(46)41-30(32(45)40-16-20-44)21-24-7-4-3-5-8-24)13-6-17-43-18-14-36(15-19-43)27-23-26(39)10-12-31(27)42(2)34(47)48-36/h3-5,7-12,22-23,30,44H,6,13-21H2,1-2H3,(H,40,45)(H,41,46)/t30-,35-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 16 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020094
(CHEMBL3288161)Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020117
(CHEMBL3288166)Show SMILES CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C38H46Cl2FN5O4/c1-37(27-11-13-30(39)31(40)24-27,35(48)43-32(23-26-9-6-5-7-10-26)34(47)42-18-22-44(2)3)15-8-19-46-20-16-38(17-21-46)29-25-28(41)12-14-33(29)45(4)36(49)50-38/h5-7,9-14,24-25,32H,8,15-23H2,1-4H3,(H,42,47)(H,43,48)/t32-,37-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020112
(CHEMBL3288165)Show SMILES OC(=O)C(F)(F)F.CNCCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42-30(32(45)41-17-16-40-2)21-24-7-5-4-6-8-24)13-18-44-19-14-36(15-20-44)27-23-26(39)10-12-31(27)43(3)34(47)48-36;3-2(4,5)1(6)7/h4-12,22-23,30,40H,13-21H2,1-3H3,(H,41,45)(H,42,46);(H,6,7)/t30-,35-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 20 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020127
(CHEMBL3288170)Show SMILES OC(=O)C(F)(F)F.CN([C@H](Cc1ccccc1)C(=O)NCCCN)C(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4.C2HF3O2/c1-36(26-10-12-29(38)30(39)23-26,34(47)43(2)32(33(46)42-18-7-17-41)22-25-8-5-4-6-9-25)14-19-45-20-15-37(16-21-45)28-24-27(40)11-13-31(28)44(3)35(48)49-37;3-2(4,5)1(6)7/h4-6,8-13,23-24,32H,7,14-22,41H2,1-3H3,(H,42,46);(H,6,7)/t32-,36-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 25 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020114
(CHEMBL3286415)Show SMILES CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4/c1-36(26-10-12-29(38)30(39)23-26,34(47)42-31(22-25-8-6-5-7-9-25)33(46)41-17-21-43(2)3)14-18-45-19-15-37(16-20-45)28-24-27(40)11-13-32(28)44(4)35(48)49-37/h5-13,23-24,31H,14-22H2,1-4H3,(H,41,46)(H,42,47)/t31-,36-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020118
(CHEMBL3288167)Show SMILES CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H39Cl2FN4O5/c1-34(24-8-10-27(36)28(37)21-24,32(45)40-29(31(44)39-15-19-43)20-23-6-4-3-5-7-23)12-16-42-17-13-35(14-18-42)26-22-25(38)9-11-30(26)41(2)33(46)47-35/h3-11,21-22,29,43H,12-20H2,1-2H3,(H,39,44)(H,40,45)/t29-,34-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020096
(CHEMBL3288163)Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C34H38Cl2FN5O4.ClH/c1-33(23-8-10-26(35)27(36)20-23,31(44)40-29(30(43)39-16-15-38)22-6-4-3-5-7-22)12-17-42-18-13-34(14-19-42)25-21-24(37)9-11-28(25)41(2)32(45)46-34;/h3-11,20-21,29H,12-19,38H2,1-2H3,(H,39,43)(H,40,44);1H/t29-,33+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020114
(CHEMBL3286415)Show SMILES CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C37H44Cl2FN5O4/c1-36(26-10-12-29(38)30(39)23-26,34(47)42-31(22-25-8-6-5-7-9-25)33(46)41-17-21-43(2)3)14-18-45-19-15-37(16-20-45)28-24-27(40)11-13-32(28)44(4)35(48)49-37/h5-13,23-24,31H,14-22H2,1-4H3,(H,41,46)(H,42,47)/t31-,36-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
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| CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020094
(CHEMBL3288161)Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34-;/m1./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
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PC sid
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PubMed
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020088
(CHEMBL3288155)Show SMILES Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@H](CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.ClH/c1-42(32(33(45)41-17-16-40)21-24-7-4-3-5-8-24)34(46)27(25-10-12-29(37)30(38)22-25)9-6-18-44-19-14-36(15-20-44)28-23-26(39)11-13-31(28)43(2)35(47)48-36;/h3-5,7-8,10-13,22-23,27,32H,6,9,14-21,40H2,1-2H3,(H,41,45);1H/t27-,32+;/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
| 50 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020091
(CHEMBL3288158)Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34+;/m0./s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
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| Purchase
CHEMBL
PC cid
PC sid
UniChem
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| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020095
(CHEMBL3288162)Show SMILES OC(=O)C(F)(F)F.CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42-30(32(45)41-17-16-40)21-24-7-4-3-5-8-24)13-6-18-44-19-14-36(15-20-44)27-23-26(39)10-12-31(27)43(2)34(47)48-36;3-2(4,5)1(6)7/h3-5,7-12,22-23,30H,6,13-21,40H2,1-2H3,(H,41,45)(H,42,46);(H,6,7)/t30-,35-;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 63 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020086
(CHEMBL3288153)Show SMILES Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-41(31(32(44)40-16-15-39)20-23-6-4-3-5-7-23)33(45)26(24-8-10-28(36)29(37)21-24)12-17-43-18-13-35(14-19-43)27-22-25(38)9-11-30(27)42(2)34(46)47-35;/h3-11,21-22,26,31H,12-20,39H2,1-2H3,(H,40,44);1H/t26-,31+;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020119
(CHEMBL3288168)Show SMILES CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCO)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C36H41Cl2FN4O5/c1-35(25-9-11-28(37)29(38)22-25,33(46)41-30(32(45)40-16-20-44)21-24-7-4-3-5-8-24)13-6-17-43-18-14-36(15-19-43)27-23-26(39)10-12-31(27)42(2)34(47)48-36/h3-5,7-12,22-23,30,44H,6,13-21H2,1-2H3,(H,40,45)(H,41,46)/t30-,35-/m1/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
KEGG
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020091
(CHEMBL3288158)Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34+;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 126 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020087
(CHEMBL3288154)Show SMILES Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-41(31(32(44)40-16-15-39)20-23-6-4-3-5-7-23)33(45)26(24-8-10-28(36)29(37)21-24)12-17-43-18-13-35(14-19-43)27-22-25(38)9-11-30(27)42(2)34(46)47-35;/h3-11,21-22,26,31H,12-20,39H2,1-2H3,(H,40,44);1H/t26-,31-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 200 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020096
(CHEMBL3288163)Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C34H38Cl2FN5O4.ClH/c1-33(23-8-10-26(35)27(36)20-23,31(44)40-29(30(43)39-16-15-38)22-6-4-3-5-7-22)12-17-42-18-13-34(14-19-42)25-21-24(37)9-11-28(25)41(2)32(45)46-34;/h3-11,20-21,29H,12-19,38H2,1-2H3,(H,39,43)(H,40,44);1H/t29-,33+;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 251 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020111
(CHEMBL3288164)Show SMILES OC(=O)C(F)(F)F.CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.C2HF3O2/c1-34(24-9-11-27(36)28(37)21-24,32(45)41-30(31(44)40-17-16-39)23-7-4-3-5-8-23)13-6-18-43-19-14-35(15-20-43)26-22-25(38)10-12-29(26)42(2)33(46)47-35;3-2(4,5)1(6)7/h3-5,7-12,21-22,30H,6,13-20,39H2,1-2H3,(H,40,44)(H,41,45);(H,6,7)/t30-,34+;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Patents
Similars
| Article
PubMed
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020092
(CHEMBL3288159)Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020089
(CHEMBL3288156)Show SMILES Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@@H](CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.ClH/c1-42(32(33(45)41-17-16-40)21-24-7-4-3-5-8-24)34(46)27(25-10-12-29(37)30(38)22-25)9-6-18-44-19-14-36(15-20-44)28-23-26(39)11-13-31(28)43(2)35(47)48-36;/h3-5,7-8,10-13,22-23,27,32H,6,9,14-21,40H2,1-2H3,(H,41,45);1H/t27-,32-;/m0./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 398 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020090
(CHEMBL3288157)Show SMILES Cl.CN([C@H](C(=O)NCCN)c1ccccc1)C(=O)[C@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C34H38Cl2FN5O4.ClH/c1-40-29-11-9-24(37)21-26(29)34(46-33(40)45)13-18-42(19-14-34)17-12-25(23-8-10-27(35)28(36)20-23)32(44)41(2)30(31(43)39-16-15-38)22-6-4-3-5-7-22;/h3-11,20-21,25,30H,12-19,38H2,1-2H3,(H,39,43);1H/t25-,30+;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50020093
(CHEMBL3288160)Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34+;/m1./s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| Purchase
CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
PubMed
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [125I]-Bolton Hunter-substance P from human NK1 receptor expressed in human U373MG cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020111
(CHEMBL3288164)Show SMILES OC(=O)C(F)(F)F.CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](C(=O)NCCN)c3ccccc3)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.C2HF3O2/c1-34(24-9-11-27(36)28(37)21-24,32(45)41-30(31(44)40-17-16-39)23-7-4-3-5-8-23)13-6-18-43-19-14-35(15-20-43)26-22-25(38)10-12-29(26)42(2)33(46)47-35;3-2(4,5)1(6)7/h3-5,7-12,21-22,30H,6,13-20,39H2,1-2H3,(H,40,44)(H,41,45);(H,6,7)/t30-,34+;/m0./s1 | PDB
Reactome pathway
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| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020117
(CHEMBL3288166)Show SMILES CN(C)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@](C)(CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C38H46Cl2FN5O4/c1-37(27-11-13-30(39)31(40)24-27,35(48)43-32(23-26-9-6-5-7-10-26)34(47)42-18-22-44(2)3)15-8-19-46-20-16-38(17-21-46)29-25-28(41)12-14-33(29)45(4)36(49)50-38/h5-7,9-14,24-25,32H,8,15-23H2,1-4H3,(H,42,47)(H,43,48)/t32-,37-/m1/s1 | PDB
Reactome pathway
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| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020087
(CHEMBL3288154)Show SMILES Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-41(31(32(44)40-16-15-39)20-23-6-4-3-5-7-23)33(45)26(24-8-10-28(36)29(37)21-24)12-17-43-18-13-35(14-19-43)27-22-25(38)9-11-30(27)42(2)34(46)47-35;/h3-11,21-22,26,31H,12-20,39H2,1-2H3,(H,40,44);1H/t26-,31-;/m0./s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 1.26E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020095
(CHEMBL3288162)Show SMILES OC(=O)C(F)(F)F.CN1C(=O)OC2(CCN(CCC[C@@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.C2HF3O2/c1-35(25-9-11-28(37)29(38)22-25,33(46)42-30(32(45)41-17-16-40)21-24-7-4-3-5-8-24)13-6-18-44-19-14-36(15-20-44)27-23-26(39)10-12-31(27)43(2)34(47)48-36;3-2(4,5)1(6)7/h3-5,7-12,22-23,30H,6,13-21,40H2,1-2H3,(H,41,45)(H,42,46);(H,6,7)/t30-,35-;/m1./s1 | PDB
Reactome pathway
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UniChem
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PubMed
| 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020086
(CHEMBL3288153)Show SMILES Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-41(31(32(44)40-16-15-39)20-23-6-4-3-5-7-23)33(45)26(24-8-10-28(36)29(37)21-24)12-17-43-18-13-35(14-19-43)27-22-25(38)9-11-30(27)42(2)34(46)47-35;/h3-11,21-22,26,31H,12-20,39H2,1-2H3,(H,40,44);1H/t26-,31+;/m1./s1 | PDB
Reactome pathway
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UniProtKB/SwissProt
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UniChem
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PubMed
| 1.59E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020093
(CHEMBL3288160)Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34+;/m1./s1 | PDB
Reactome pathway
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| 2.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020090
(CHEMBL3288157)Show SMILES Cl.CN([C@H](C(=O)NCCN)c1ccccc1)C(=O)[C@H](CCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C34H38Cl2FN5O4.ClH/c1-40-29-11-9-24(37)21-26(29)34(46-33(40)45)13-18-42(19-14-34)17-12-25(23-8-10-27(35)28(36)20-23)32(44)41(2)30(31(43)39-16-15-38)22-6-4-3-5-7-22;/h3-11,20-21,25,30H,12-19,38H2,1-2H3,(H,39,43);1H/t25-,30+;/m1./s1 | PDB
Reactome pathway
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| 2.51E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020088
(CHEMBL3288155)Show SMILES Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@H](CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.ClH/c1-42(32(33(45)41-17-16-40)21-24-7-4-3-5-8-24)34(46)27(25-10-12-29(37)30(38)22-25)9-6-18-44-19-14-36(15-20-44)28-23-26(39)11-13-31(28)43(2)35(47)48-36;/h3-5,7-8,10-13,22-23,27,32H,6,9,14-21,40H2,1-2H3,(H,41,45);1H/t27-,32+;/m1./s1 | PDB
Reactome pathway
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| 3.98E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020089
(CHEMBL3288156)Show SMILES Cl.CN([C@@H](Cc1ccccc1)C(=O)NCCN)C(=O)[C@@H](CCCN1CCC2(CC1)OC(=O)N(C)c1ccc(F)cc21)c1ccc(Cl)c(Cl)c1 |r| Show InChI InChI=1S/C36H42Cl2FN5O4.ClH/c1-42(32(33(45)41-17-16-40)21-24-7-4-3-5-8-24)34(46)27(25-10-12-29(37)30(38)22-25)9-6-18-44-19-14-36(15-20-44)28-23-26(39)11-13-31(28)43(2)35(47)48-36;/h3-5,7-8,10-13,22-23,27,32H,6,9,14-21,40H2,1-2H3,(H,41,45);1H/t27-,32-;/m0./s1 | PDB
Reactome pathway
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| 6.31E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
Neuromedin-K receptor
(Homo sapiens (Human)) | BDBM50020092
(CHEMBL3288159)Show SMILES Cl.CN1C(=O)OC2(CCN(CC[C@](C)(C(=O)N[C@@H](Cc3ccccc3)C(=O)NCCN)c3ccc(Cl)c(Cl)c3)CC2)c2cc(F)ccc12 |r| Show InChI InChI=1S/C35H40Cl2FN5O4.ClH/c1-34(24-8-10-27(36)28(37)21-24,32(45)41-29(31(44)40-16-15-39)20-23-6-4-3-5-7-23)12-17-43-18-13-35(14-19-43)26-22-25(38)9-11-30(26)42(2)33(46)47-35;/h3-11,21-22,29H,12-20,39H2,1-2H3,(H,40,44)(H,41,45);1H/t29-,34-;/m0./s1 | PDB
Reactome pathway
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| 1.00E+4 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
Universit£ de Montr£al
Curated by ChEMBL
| Assay Description
Displacement of [3H]-SR142801 from human NK3 receptor expressed in recombinant CHO cells |
ACS Med Chem Lett 5: 550-5 (2014)
Article DOI: 10.1021/ml400528y
BindingDB Entry DOI: 10.7270/Q2G162CB |
More data for this
Ligand-Target Pair | |
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