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PubMed code 11408556

Compile data set for download or QSAR
Found 2 hits of Enzyme Inhibition Constant Data   
Target/Host
(Institution)
LigandTarget/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
pHTemp
°C
Substance-P receptor


(Homo sapiens (human))
BDBM50105595
PNG
((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1
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PC cid
PC sid
UniChem

Similars

PubMed
0.120n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 307-15 (2001)


BindingDB Entry DOI: 10.7270/Q2H130JX
More data for this
Ligand-Target Pair
Substance-P receptor


(Homo sapiens (human))
BDBM50105595
PNG
((R,S)-3-Cyano-naphthalene-1-carboxylic acid {2-(3,...)
Show SMILES CN(C[C@@H](CCN1CCC(CC1)c1ccccc1S(C)=O)c1ccc(Cl)c(Cl)c1)C(=O)c1cc(cc2ccccc12)C#N
Show InChI InChI=1S/C35H35Cl2N3O2S/c1-39(35(41)31-20-24(22-38)19-27-7-3-4-8-29(27)31)23-28(26-11-12-32(36)33(37)21-26)15-18-40-16-13-25(14-17-40)30-9-5-6-10-34(30)43(2)42/h3-12,19-21,25,28H,13-18,23H2,1-2H3/t28-,43?/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
DrugBank
GoogleScholar
AffyNet 
CHEMBL
PC cid
PC sid
UniChem

Similars

PubMed
0.610n/an/an/an/an/an/an/an/a



AstraZeneca Pharmaceuticals

Curated by PDSP Ki Database




J Pharmacol Exp Ther 298: 307-15 (2001)


BindingDB Entry DOI: 10.7270/Q2H130JX
More data for this
Ligand-Target Pair
* indicates data uncertainty>20%