Found 7 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)) | BDBM50106711
(5-[2-[1-(3,5-Bis-trifluoromethyl-phenyl)-ethoxy]-3...)Show SMILES C[C@@H](OC1OCCN(Cc2n[nH]c(=O)[nH]2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C23H21F7N4O3/c1-12(14-8-15(22(25,26)27)10-16(9-14)23(28,29)30)37-20-19(13-2-4-17(24)5-3-13)34(6-7-36-20)11-18-31-21(35)33-32-18/h2-5,8-10,12,19-20H,6-7,11H2,1H3,(H2,31,32,33,35)/t12-,19+,20?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| Purchase
CHEMBL
MCE
PC cid
PC sid
UniChem
Patents
Similars
| PubMed
| n/a | n/a | 0.0900 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1 |
J Med Chem 44: 4296-9 (2001)
BindingDB Entry DOI: 10.7270/Q2PN96BR |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50106717
(CHEMBL553778 | {5-[2-[1-(3,5-Bis-trifluoromethyl-p...)Show SMILES C[C@@H](OC1OCCN(Cc2[nH]nnc2CN(C)C)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C26H28F7N5O2/c1-15(17-10-18(25(28,29)30)12-19(11-17)26(31,32)33)40-24-23(16-4-6-20(27)7-5-16)38(8-9-39-24)14-22-21(13-37(2)3)34-36-35-22/h4-7,10-12,15,23-24H,8-9,13-14H2,1-3H3,(H,34,35,36)/t15-,23+,24?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1 |
J Med Chem 44: 4296-9 (2001)
BindingDB Entry DOI: 10.7270/Q2PN96BR |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50106712
(4-(5-Azetidin-1-ylmethyl-1H-[1,2,3]triazol-4-ylmet...)Show SMILES C[C@@H](OC1OCCN(Cc2[nH]nnc2CN2CCC2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C27H28F7N5O2/c1-16(18-11-19(26(29,30)31)13-20(12-18)27(32,33)34)41-25-24(17-3-5-21(28)6-4-17)39(9-10-40-25)15-23-22(35-37-36-23)14-38-7-2-8-38/h3-6,11-13,16,24-25H,2,7-10,14-15H2,1H3,(H,35,36,37)/t16-,24+,25?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.190 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1 |
J Med Chem 44: 4296-9 (2001)
BindingDB Entry DOI: 10.7270/Q2PN96BR |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50409466
(CHEMBL2112743)Show SMILES C[C@@H](O[C@H]1OCCN(Cc2[nH]nnc2CN2CCCC2)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C28H30F7N5O2/c1-17(19-12-20(27(30,31)32)14-21(13-19)28(33,34)35)42-26-25(18-4-6-22(29)7-5-18)40(10-11-41-26)16-24-23(36-38-37-24)15-39-8-2-3-9-39/h4-7,12-14,17,25-26H,2-3,8-11,15-16H2,1H3,(H,36,37,38)/t17-,25+,26-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.210 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1 |
J Med Chem 44: 4296-9 (2001)
BindingDB Entry DOI: 10.7270/Q2PN96BR |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50409465
(CHEMBL2112741)Show SMILES C[C@@H](O[C@H]1OCCN(Cc2[nH]nnc2CN)[C@H]1c1ccc(F)cc1)c1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C24H24F7N5O2/c1-13(15-8-16(23(26,27)28)10-17(9-15)24(29,30)31)38-22-21(14-2-4-18(25)5-3-14)36(6-7-37-22)12-20-19(11-32)33-35-34-20/h2-5,8-10,13,21-22H,6-7,11-12,32H2,1H3,(H,33,34,35)/t13-,21+,22-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.25 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1 |
J Med Chem 44: 4296-9 (2001)
BindingDB Entry DOI: 10.7270/Q2PN96BR |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50106716
(CHEMBL133140 | {5-[2-[1-(3,5-Bis-trifluoromethyl-p...)Show SMILES CNCc1nn[nH]c1CN1CCOC(O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccc(F)cc1 Show InChI InChI=1S/C25H26F7N5O2/c1-14(16-9-17(24(27,28)29)11-18(10-16)25(30,31)32)39-23-22(15-3-5-19(26)6-4-15)37(7-8-38-23)13-21-20(12-33-2)34-36-35-21/h3-6,9-11,14,22-23,33H,7-8,12-13H2,1-2H3,(H,34,35,36)/t14-,22+,23?/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.290 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1 |
J Med Chem 44: 4296-9 (2001)
BindingDB Entry DOI: 10.7270/Q2PN96BR |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50409467
(CHEMBL2112742)Show SMILES CC(C)N(Cc1nn[nH]c1CN1CCO[C@H](O[C@H](C)c2cc(cc(c2)C(F)(F)F)C(F)(F)F)[C@@H]1c1ccc(F)cc1)C(C)C Show InChI InChI=1S/C30H36F7N5O2/c1-17(2)42(18(3)4)16-26-25(38-40-39-26)15-41-10-11-43-28(27(41)20-6-8-24(31)9-7-20)44-19(5)21-12-22(29(32,33)34)14-23(13-21)30(35,36)37/h6-9,12-14,17-19,27-28H,10-11,15-16H2,1-5H3,(H,38,39,40)/t19-,27+,28-/m1/s1 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| PubMed
| n/a | n/a | 0.350 | n/a | n/a | n/a | n/a | n/a | n/a |
Merck
Curated by ChEMBL
| Assay Description
In vitro inhibition of binding of [125I]-substance P to tachykinin receptor 1 |
J Med Chem 44: 4296-9 (2001)
BindingDB Entry DOI: 10.7270/Q2PN96BR |
More data for this
Ligand-Target Pair | |
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