BindingDB logo
myBDB logout
Compile Data Set for Download or QSAR

Found 2 hits of non-affinity data for polymerid = 2103,2104   
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
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM21011
PNG
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N(C)Cc1ccccc1
Show InChI InChI=1S/C53H65N9O8/c1-33(2)26-43(50(67)60-45(29-38-30-55-42-19-12-11-18-40(38)42)52(69)61(4)32-37-16-9-6-10-17-37)59-51(68)46-20-13-25-62(46)53(70)44(28-35-14-7-5-8-15-35)58-47(64)31-56-48(65)34(3)57-49(66)41(54)27-36-21-23-39(63)24-22-36/h5-12,14-19,21-24,30,33-34,41,43-46,55,63H,13,20,25-29,31-32,54H2,1-4H3,(H,56,65)(H,57,66)(H,58,64)(H,59,68)(H,60,67)/t34-,41+,43+,44+,45+,46+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 51: 1369-76 (2008)


Article DOI: 10.1021/jm070332f
BindingDB Entry DOI: 10.7270/Q2X63K7C
More data for this
Ligand-Target Pair
Neurokinin 1 receptor


(Rattus norvegicus (rat))
BDBM21010
PNG
((2S)-2-{[(2S)-1-[(2S)-2-{2-[(2R)-2-[(2S)-2-amino-3...)
Show SMILES CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccccc1
Show InChI InChI=1S/C52H63N9O8/c1-32(2)25-42(50(67)59-43(49(66)55-29-36-15-8-5-9-16-36)28-37-30-54-41-18-11-10-17-39(37)41)60-51(68)45-19-12-24-61(45)52(69)44(27-34-13-6-4-7-14-34)58-46(63)31-56-47(64)33(3)57-48(65)40(53)26-35-20-22-38(62)23-21-35/h4-11,13-18,20-23,30,32-33,40,42-45,54,62H,12,19,24-29,31,53H2,1-3H3,(H,55,66)(H,56,64)(H,57,65)(H,58,63)(H,59,67)(H,60,68)/t33-,40+,42+,43+,44+,45+/m1/s1
PDB
MMDB

Reactome pathway
KEGG

UniProtKB/SwissProt

B.MOAD
GoogleScholar
PC cid
PC sid
UniChem

Similars

Article
PubMed
n/an/an/an/an/an/an/a7.425



University of Arizona at Tucson



Assay Description
Log IC50 values for each test compound were determined from nonlinear regression analysis of data collected from two independent experiments performe...


J Med Chem 51: 1369-76 (2008)


Article DOI: 10.1021/jm070332f
BindingDB Entry DOI: 10.7270/Q2X63K7C
More data for this
Ligand-Target Pair