Found 10 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)) | BDBM50346332
(2-Oxo-5-phenyl-1,2,3,5-tetrahydro-benzo[e][1,4]dia...)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC(=O)Nc2ccccc2C1c1ccccc1 Show InChI InChI=1S/C26H21F6N3O2/c1-34(14-16-11-18(25(27,28)29)13-19(12-16)26(30,31)32)24(37)35-15-22(36)33-21-10-6-5-9-20(21)23(35)17-7-3-2-4-8-17/h2-13,23H,14-15H2,1H3,(H,33,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet 
| CHEMBL
PC cid
PC sid
UniChem
| Article
| 10 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi |
Bioorg Med Chem Lett 7: 2037-2042 (1997)
Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50214736
(CHEMBL304638)Show SMILES CC1N(CC(=O)Nc2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H19F6N3O2/c1-12-16-5-3-4-6-17(16)28-18(31)11-30(12)19(32)29(2)10-13-7-14(20(22,23)24)9-15(8-13)21(25,26)27/h3-9,12H,10-11H2,1-2H3,(H,28,31) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 32 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi |
Bioorg Med Chem Lett 7: 2037-2042 (1997)
Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50214732
(CHEMBL64839)Show SMILES CC1N(CCNc2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C21H21F6N3O/c1-13-17-5-3-4-6-18(17)28-7-8-30(13)19(31)29(2)12-14-9-15(20(22,23)24)11-16(10-14)21(25,26)27/h3-6,9-11,13,28H,7-8,12H2,1-2H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 40 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi |
Bioorg Med Chem Lett 7: 2037-2042 (1997)
Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50214733
(CHEMBL62597)Show SMILES COC(=O)C1N(CC(=O)Nc2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H19F6N3O4/c1-30(10-12-7-13(21(23,24)25)9-14(8-12)22(26,27)28)20(34)31-11-17(32)29-16-6-4-3-5-15(16)18(31)19(33)35-2/h3-9,18H,10-11H2,1-2H3,(H,29,32) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 316 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi |
Bioorg Med Chem Lett 7: 2037-2042 (1997)
Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50214734
(CHEMBL302163)Show SMILES FC(F)(F)c1cc(CNC(=O)N2CC(=O)Nc3ccccc3C2c2ccccc2)cc(c1)C(F)(F)F Show InChI InChI=1S/C25H19F6N3O2/c26-24(27,28)17-10-15(11-18(12-17)25(29,30)31)13-32-23(36)34-14-21(35)33-20-9-5-4-8-19(20)22(34)16-6-2-1-3-7-16/h1-12,22H,13-14H2,(H,32,36)(H,33,35) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 631 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi |
Bioorg Med Chem Lett 7: 2037-2042 (1997)
Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50214641
(CHEMBL291650)Show SMILES CN(Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)N1CC(=O)Nc2ccccc2C1CN1CCOCC1 Show InChI InChI=1S/C25H26F6N4O3/c1-33(13-16-10-17(24(26,27)28)12-18(11-16)25(29,30)31)23(37)35-15-22(36)32-20-5-3-2-4-19(20)21(35)14-34-6-8-38-9-7-34/h2-5,10-12,21H,6-9,13-15H2,1H3,(H,32,36) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 794 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi |
Bioorg Med Chem Lett 7: 2037-2042 (1997)
Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50214640
(CHEMBL64862)Show SMILES CN(Cc1ccccc1)C(=O)N1CC(=O)Nc2ccccc2C1c1ccccc1 Show InChI InChI=1S/C24H23N3O2/c1-26(16-18-10-4-2-5-11-18)24(29)27-17-22(28)25-21-15-9-8-14-20(21)23(27)19-12-6-3-7-13-19/h2-15,23H,16-17H2,1H3,(H,25,28) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi |
Bioorg Med Chem Lett 7: 2037-2042 (1997)
Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50214735
(CHEMBL64698)Show SMILES CC1N(CC(=O)N(C)c2ccccc12)C(=O)N(C)Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C22H21F6N3O2/c1-13-17-6-4-5-7-18(17)30(3)19(32)12-31(13)20(33)29(2)11-14-8-15(21(23,24)25)10-16(9-14)22(26,27)28/h4-10,13H,11-12H2,1-3H3 | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| 1.00E+3 | n/a | n/a | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Tested for affinity against NK-1(Neurokinin-1) receptor expressed as pKi |
Bioorg Med Chem Lett 7: 2037-2042 (1997)
Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK |
More data for this
Ligand-Target Pair | |
Cholecystokinin receptor type A
(Homo sapiens (Human)) | BDBM50008634
((S)-3,4-Dichloro-N-[1-dipentylcarbamoyl-2-(1H-indo...)Show SMILES CCCCCN(CCCCC)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H35Cl2N3O2/c1-3-5-9-15-33(16-10-6-4-2)28(35)26(18-21-19-31-25-12-8-7-11-22(21)25)32-27(34)20-13-14-23(29)24(30)17-20/h7-8,11-14,17,19,26,31H,3-6,9-10,15-16,18H2,1-2H3,(H,32,34)/t26-/m0/s1 | PDB
Reactome pathway
KEGG
UniProtKB/SwissProt
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 190 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of cholecystokinin A(CCK A) |
Bioorg Med Chem Lett 7: 2037-2042 (1997)
Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK |
More data for this
Ligand-Target Pair | |
Substance-P receptor
(Homo sapiens (Human)) | BDBM50289925
(2-Acetylamino-N-benzyl-3-(1H-indol-3-yl)-N-methyl-...)Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1c[nH]c2ccccc12)NC(C)=O Show InChI InChI=1S/C21H23N3O2/c1-15(25)23-20(12-17-13-22-19-11-7-6-10-18(17)19)21(26)24(2)14-16-8-4-3-5-9-16/h3-11,13,20,22H,12,14H2,1-2H3,(H,23,25) | PDB
MMDB
Reactome pathway
KEGG
UniProtKB/SwissProt
B.MOAD
DrugBank
antibodypedia
GoogleScholar
AffyNet
| CHEMBL
PC cid
PC sid
UniChem
Similars
| Article
| n/a | n/a | 750 | n/a | n/a | n/a | n/a | n/a | n/a |
TBA
Curated by ChEMBL
| Assay Description
Concentration required for 50% inhibition of neurokinin-1 receptor |
Bioorg Med Chem Lett 7: 2037-2042 (1997)
Article DOI: 10.1016/S0960-894X(97)00353-3
BindingDB Entry DOI: 10.7270/Q21836GK |
More data for this
Ligand-Target Pair | |
Search and Browse
