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Compile Data Set for Download or QSAR

Found 2 hits of kd data for polymerid = 4344,49000949,6096   
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
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50614544
PNG
(CHEMBL5281349)
Show SMILES CC(C)C[C@H]1CN(CC(=O)NCCC(=O)N[C@@H](CCCCNC(=S)Nc2ccccc2)C(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](Cc2ccccc2)CN(CC(=O)N1)C(=O)CCC1CCCCC1)C(=O)CCc1ccccc1)C(=O)CC1CC1 |r|
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n/an/an/a 13n/an/an/an/an/a


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Citation and Details
More data for this
Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype


(Homo sapiens (Human))
BDBM50614545
PNG
(CHEMBL5279002)
Show SMILES CC(C)C[C@H]1CN(CC(=O)NCCC(=O)N[C@@H](CCCCNC(=S)Nc2ccc(c(c2)C(O)=O)-c2c3ccc(O)cc3oc3cc(=O)ccc23)C(N)=O)C(=O)CCSCc2ccc(cc2)C(=O)N[C@@H](CCCCN)CN(CC(=O)N[C@@H](CC(C)C)CN(CC(=O)N[C@@H](Cc2ccccc2)CN(CC(=O)N1)C(=O)Cc1ccc2ccccc2c1)C(=O)CCC1CCCCC1)C(=O)CCc1ccccc1 |r,wU:68.73,4.3,91.96,80.85,16.16,(-2.29,5,;-3.34,3.87,;-2.89,2.4,;-4.84,4.22,;-5.89,3.1,;-5.45,1.63,;-6.5,.5,;-5,.15,;-3.95,1.28,;-4.39,2.75,;-2.45,.93,;-.96,1.33,;.13,.24,;1.62,.64,;2.02,2.13,;2.71,-.45,;4.19,-.05,;4.59,1.44,;6.08,1.84,;6.48,3.32,;7.97,3.72,;8.37,5.21,;9.85,5.61,;10.25,7.1,;10.94,4.52,;12.43,4.92,;12.83,6.41,;14.31,6.8,;15.4,5.71,;15.01,4.23,;13.52,3.82,;16.1,3.14,;17.58,2.74,;15.7,1.65,;16.89,6.11,;17.29,7.6,;16.2,8.68,;16.6,10.17,;18.08,10.57,;18.48,12.06,;19.17,9.49,;18.78,8,;19.86,6.91,;19.47,5.42,;20.55,4.33,;20.16,2.84,;21.24,1.75,;18.67,2.45,;17.58,3.53,;17.98,5.02,;5.29,-1.14,;6.77,-.74,;4.89,-2.63,;-6.05,-.97,;-4.55,-1.32,;-7.11,-2.09,;-6.66,-3.57,;-5.16,-3.92,;-4.71,-5.39,;-5.77,-6.52,;-5.32,-7.99,;-6.37,-9.11,;-7.87,-8.76,;-8.32,-7.29,;-7.27,-6.16,;-8.92,-9.88,;-8.48,-11.36,;-10.42,-9.53,;-11.48,-10.66,;-11.03,-12.13,;-9.53,-12.48,;-9.09,-13.95,;-7.59,-14.3,;-7.14,-15.78,;-12.98,-10.31,;-13.42,-8.83,;-14.92,-8.49,;-15.37,-7.01,;-16.87,-6.66,;-14.32,-5.89,;-14.76,-4.41,;-16.26,-4.06,;-17.32,-5.19,;-18.82,-4.84,;-17.67,-6.69,;-13.71,-3.29,;-14.16,-1.82,;-13.1,-.69,;-13.55,.78,;-15.05,1.13,;-12.5,1.9,;-12.94,3.38,;-14.44,3.73,;-14.89,5.2,;-16.39,5.55,;-16.83,7.02,;-15.78,8.15,;-14.29,7.8,;-13.83,6.33,;-11.89,4.5,;-10.39,4.15,;-9.34,5.27,;-7.84,4.92,;-6.78,6.05,;-7.39,3.45,;-11.2,5.46,;-12.74,5.41,;-10.48,6.82,;-11.29,8.12,;-12.83,8.08,;-13.64,9.38,;-12.91,10.74,;-13.72,12.04,;-13,13.39,;-11.48,13.44,;-10.66,12.15,;-11.38,10.79,;-10.56,9.49,;-15.66,-1.47,;-16.71,-2.59,;-16.1,.01,;-17.6,.36,;-18.05,1.83,;-19.55,2.18,;-20,3.66,;-18.94,4.78,;-17.44,4.43,;-17,2.95,;-14.73,-9.64,;-16.09,-8.92,;-14.68,-11.18,;-15.99,-12,;-15.94,-13.54,;-14.58,-14.26,;-14.53,-15.8,;-15.84,-16.61,;-17.2,-15.89,;-17.25,-14.35,)|
PDB

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n/an/an/a 16n/an/an/an/an/a


TBA



Citation and Details
More data for this
Ligand-Target Pair