Found 15 hits of Enzyme Inhibition Constant Data 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-P receptor
(Homo sapiens (Human)) | BDBM50220512
(CHEMBL84161)Show SMILES Cc1cccc(NC(=O)N2CCC3(CC2)NC(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C3=O)c1 Show InChI InChI=1S/C24H22F6N4O3/c1-14-3-2-4-18(9-14)31-20(36)33-7-5-22(6-8-33)19(35)34(21(37)32-22)13-15-10-16(23(25,26)27)12-17(11-15)24(28,29)30/h2-4,9-12H,5-8,13H2,1H3,(H,31,36)(H,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 46 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220507
(CHEMBL311946)Show SMILES FC(F)(F)c1cc(CN2C(=O)NC3(CCN(CC3)S(=O)(=O)CCc3cccc4ccccc34)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C28H25F6N3O4S/c29-27(30,31)21-14-18(15-22(16-21)28(32,33)34)17-37-24(38)26(35-25(37)39)9-11-36(12-10-26)42(40,41)13-8-20-6-3-5-19-4-1-2-7-23(19)20/h1-7,14-16H,8-13,17H2,(H,35,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 74 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220517
(CHEMBL310521)Show SMILES FC(F)(F)c1cc(CN2C(=O)NC3(CCN(Cc4cccc(c4)C#N)CC3)C2=O)cc(c1)C(F)(F)F Show InChI InChI=1S/C24H20F6N4O2/c25-23(26,27)18-9-17(10-19(11-18)24(28,29)30)14-34-20(35)22(32-21(34)36)4-6-33(7-5-22)13-16-3-1-2-15(8-16)12-31/h1-3,8-11H,4-7,13-14H2,(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 107 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220508
(CHEMBL313590)Show SMILES CSc1ccc(cc1)N1C(=O)NC2(CCN(CC2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O Show InChI InChI=1S/C23H19F6N3O3S/c1-36-17-4-2-16(3-5-17)32-19(34)21(30-20(32)35)6-8-31(9-7-21)18(33)13-10-14(22(24,25)26)12-15(11-13)23(27,28)29/h2-5,10-12H,6-9H2,1H3,(H,30,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 132 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220509
(CHEMBL313297)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(Cc1cccc(c1)-c1ccccc1)C2=O Show InChI InChI=1S/C29H23F6N3O3/c30-28(31,32)22-14-21(15-23(16-22)29(33,34)35)24(39)37-11-9-27(10-12-37)25(40)38(26(41)36-27)17-18-5-4-8-20(13-18)19-6-2-1-3-7-19/h1-8,13-16H,9-12,17H2,(H,36,41) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 138 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220505
(CHEMBL84761)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(Cc1ccc3OCOc3c1)C2=O Show InChI InChI=1S/C24H19F6N3O5/c25-23(26,27)15-8-14(9-16(10-15)24(28,29)30)19(34)32-5-3-22(4-6-32)20(35)33(21(36)31-22)11-13-1-2-17-18(7-13)38-12-37-17/h1-2,7-10H,3-6,11-12H2,(H,31,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 245 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220516
(CHEMBL420787)Show SMILES Cc1cc(C)c(C(=O)N2CCC3(CC2)NC(=O)N(C3=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)c(C)c1 Show InChI InChI=1S/C25H23F6N3O3/c1-13-8-14(2)19(15(3)9-13)20(35)33-6-4-23(5-7-33)21(36)34(22(37)32-23)18-11-16(24(26,27)28)10-17(12-18)25(29,30)31/h8-12H,4-7H2,1-3H3,(H,32,37) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 324 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220511
(CHEMBL314499)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)N1C(=O)NC2(CCN(CC2)C(=O)c2cccc3ccccc23)C1=O Show InChI InChI=1S/C26H19F6N3O3/c27-25(28,29)16-12-17(26(30,31)32)14-18(13-16)35-22(37)24(33-23(35)38)8-10-34(11-9-24)21(36)20-7-3-5-15-4-1-2-6-19(15)20/h1-7,12-14H,8-11H2,(H,33,38) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 339 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220510
(CHEMBL84873)Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2cccc3ccccc23)C1=O Show InChI InChI=1S/C28H23F6N3O3/c1-35-24(39)26(9-11-36(12-10-26)23(38)22-8-4-6-18-5-2-3-7-21(18)22)37(25(35)40)16-17-13-19(27(29,30)31)15-20(14-17)28(32,33)34/h2-8,13-15H,9-12,16H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 457 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220518
(CHEMBL431974)Show SMILES FC(F)(F)c1cc(cc(c1)C(F)(F)F)C(=O)N1CCC2(CC1)NC(=O)N(CCc1c[nH]c3ccccc13)C2=O Show InChI InChI=1S/C26H22F6N4O3/c27-25(28,29)17-11-16(12-18(13-17)26(30,31)32)21(37)35-9-6-24(7-10-35)22(38)36(23(39)34-24)8-5-15-14-33-20-4-2-1-3-19(15)20/h1-4,11-14,33H,5-10H2,(H,34,39) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 575 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220513
(CHEMBL82065)Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2c(Cl)cccc2Cl)C1=O Show InChI InChI=1S/C24H19Cl2F6N3O3/c1-33-20(37)22(5-7-34(8-6-22)19(36)18-16(25)3-2-4-17(18)26)35(21(33)38)12-13-9-14(23(27,28)29)11-15(10-13)24(30,31)32/h2-4,9-11H,5-8,12H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 646 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220514
(CHEMBL82278)Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)c2ccccc2F)C1=O Show InChI InChI=1S/C24H20F7N3O3/c1-32-20(36)22(6-8-33(9-7-22)19(35)17-4-2-3-5-18(17)25)34(21(32)37)13-14-10-15(23(26,27)28)12-16(11-14)24(29,30)31/h2-5,10-12H,6-9,13H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 1.48E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220506
(CHEMBL86053)Show SMILES COc1ccc(cc1OC)N1CN(CC(=O)N2CCC3(CC2)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C(=O)N(C)C3=O)CC1=O Show InChI InChI=1S/C30H31F6N5O6/c1-37-26(44)28(41(27(37)45)14-18-10-19(29(31,32)33)12-20(11-18)30(34,35)36)6-8-39(9-7-28)24(42)15-38-16-25(43)40(17-38)21-4-5-22(46-2)23(13-21)47-3/h4-5,10-13H,6-9,14-17H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 1.70E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220515
(CHEMBL82274)Show SMILES CCCCCCCCN1C(=O)NC2(CCN(CC2)C(=O)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)C1=O Show InChI InChI=1S/C24H29F6N3O3/c1-2-3-4-5-6-7-10-33-20(35)22(31-21(33)36)8-11-32(12-9-22)19(34)16-13-17(23(25,26)27)15-18(14-16)24(28,29)30/h13-15H,2-12H2,1H3,(H,31,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| 2.04E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50220519
(CHEMBL82552)Show SMILES CN1C(=O)N(Cc2cc(cc(c2)C(F)(F)F)C(F)(F)F)C2(CCN(CC2)C(=O)CN2CCC(Cc3ccccc3)CC2)C1=O Show InChI InChI=1S/C31H34F6N4O3/c1-38-27(43)29(41(28(38)44)19-23-16-24(30(32,33)34)18-25(17-23)31(35,36)37)9-13-40(14-10-29)26(42)20-39-11-7-22(8-12-39)15-21-5-3-2-4-6-21/h2-6,16-18,22H,7-15,19-20H2,1H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
| PubMed
| 3.72E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
F. Hoffmann-La Roche AG
Curated by ChEMBL
| Assay Description
Affinity for human Tachykinin receptor 1 expressed in CHO cells |
Bioorg Med Chem Lett 12: 2519-22 (2002)
BindingDB Entry DOI: 10.7270/Q2GT5QB9 |
More data for this
Ligand-Target Pair | |
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