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SMILES: OC(=O)CC[C@H](NP(O)(=O)OC[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(O)=O)C(O)=O

InChI Key: InChIKey=MWPSEIQQEIKFDS-HJOGWXRNSA-M

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358645   
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
Glutamate carboxypeptidase 2


(Homo sapiens (Human))		BDBM50358645
PNG
(CHEMBL1921898)
Show SMILES OC(=O)CC[C@H](NP(O)(=O)OC[C@H](NC(=O)CC[C@H](NC(=O)c1ccc(c(c1)C([O-])=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(O)=O)C(O)=O |r,wU:18.18,wD:12.12,5.5,(11.85,-15.93,;11.85,-14.39,;13.19,-13.62,;10.52,-13.62,;9.19,-14.39,;7.85,-13.62,;6.52,-14.39,;5.19,-13.63,;5.17,-15.16,;3.86,-14.4,;5.19,-12.09,;3.86,-11.32,;3.86,-9.78,;2.52,-9.01,;1.19,-9.78,;1.19,-11.32,;-.14,-9.02,;-1.48,-9.79,;-2.81,-9.02,;-2.81,-7.48,;-4.14,-6.71,;-5.47,-7.48,;-4.14,-5.17,;-5.48,-4.4,;-5.48,-2.87,;-4.14,-2.09,;-2.82,-2.86,;-2.81,-4.39,;-1.48,-2.09,;-.15,-2.85,;-2.58,-.99,;-4.14,-.56,;-5.48,.21,;-6.81,-.55,;-8.14,.22,;-8.14,1.76,;-9.47,2.53,;-6.81,2.53,;-5.48,1.77,;-4.14,2.55,;-2.79,1.77,;-1.46,2.54,;-.13,1.77,;1.2,2.54,;-.12,.22,;-1.46,-.56,;-2.8,.22,;-4.14,-9.79,;-5.47,-9.02,;-4.14,-11.33,;5.18,-9.01,;6.52,-9.78,;5.18,-7.47,;7.85,-12.09,;9.18,-11.31,;6.52,-11.31,)|
Show InChI InChI=1S/C34H32N3O18P/c38-16-2-5-19-25(12-16)55-26-13-17(39)3-6-20(26)29(19)18-4-1-15(11-21(18)31(44)45)30(43)36-22(32(46)47)7-9-27(40)35-24(34(50)51)14-54-56(52,53)37-23(33(48)49)8-10-28(41)42/h1-6,11-13,22-24,38H,7-10,14H2,(H,35,40)(H,36,43)(H,41,42)(H,44,45)(H,46,47)(H,48,49)(H,50,51)(H2,37,52,53)/p-1/t22-,23-,24-/m0/s1
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Article
PubMed
n/an/a 0.410n/an/an/an/an/an/a



Washington State University

Curated by ChEMBL


Assay Description
Inhibition of PSMA using N-[4-(phenylazo)-benzoyl]-glutamyl-gamma-glutamic acid as substrate after 15 mins by HPLC analysis

Bioorg Med Chem Lett 21: 7013-6 (2011)


Article DOI: 10.1016/j.bmcl.2011.09.115
BindingDB Entry DOI: 10.7270/Q2PG1S5S
More data for this
Ligand-Target Pair