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Compile Data Set for Download or QSAR

Found 2 hits of ki for UniProtKB: P79218   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Substance-K receptor


(Oryctolagus cuniculus)
BDBM50290461
PNG
(CHEMBL65468 | potassium 3,5-di(trifluoromethyl)ben...)
Show SMILES OC1CC(N(C1)C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12)C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)OCc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Show InChI InChI=1S/C39H36F6N8O5/c40-38(41,42)24-13-22(14-25(16-24)39(43,44)45)21-58-37(57)31(15-23-18-46-30-9-3-1-7-27(23)30)47-35(55)33-17-26(54)19-53(33)36(56)29-20-52(32-10-4-2-8-28(29)32)12-6-5-11-34-48-50-51-49-34/h1-4,7-10,13-14,16,18,20,26,31,33,46,54H,5-6,11-12,15,17,19,21H2,(H2,47,48,49,50,51,55)/p-1
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PC cid
PC sid
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Article
5.20n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery.


Bioorg Med Chem Lett 7: 203-208 (1997)


Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN
More data for this
Ligand-Target Pair
Substance-K receptor


(Oryctolagus cuniculus)
BDBM50290462
PNG
(CHEMBL305119 | potassium 2N-[1-benzyl(methyl)carba...)
Show SMILES CN(Cc1ccccc1)C(=O)C(Cc1ccc2ccccc2c1)NC(=O)C1CC(O)CN1C(=O)c1cn(CCCCc2nn[n-]n2)c2ccccc12
Show InChI InChI=1S/C40H42N8O4/c1-46(24-27-11-3-2-4-12-27)40(52)34(22-28-18-19-29-13-5-6-14-30(29)21-28)41-38(50)36-23-31(49)25-48(36)39(51)33-26-47(35-16-8-7-15-32(33)35)20-10-9-17-37-42-44-45-43-37/h2-8,11-16,18-19,21,26,31,34,36,49H,9-10,17,20,22-25H2,1H3,(H2,41,42,43,44,45,50)/p-1
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Similars

Article
5.60n/an/an/an/an/an/an/an/a



TBA

Curated by ChEMBL


Assay Description
Binding affinity of the compound for NK-2 receptor was determined in vitro using isolated rabbit pulmonary artery.


Bioorg Med Chem Lett 7: 203-208 (1997)


Article DOI: 10.1016/S0960-894X(96)00604-X
BindingDB Entry DOI: 10.7270/Q2VD6ZGN
More data for this
Ligand-Target Pair