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

InChI Key: InChIKey=LRCJBPMQILICBJ-AWCRTANDSA-N

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Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50358646   
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))		BDBM50358646
PNG
(CHEMBL1921899)
Show SMILES OC(=O)CC[C@H](NP(O)(=O)OC[C@H](NC(=O)CC[C@H](NC(=O)CCCCCNC(=O)c1ccc(c(c1)C(O)=O)-c1c2ccc(O)cc2oc2cc(=O)ccc12)C(O)=O)C(O)=O)C(O)=O |r,wD:18.18,12.12,5.5,(26.08,-15.33,;26.07,-13.79,;27.4,-13.02,;24.72,-13.04,;23.39,-13.81,;22.06,-13.06,;20.73,-13.83,;19.39,-13.07,;19.38,-14.61,;18.06,-13.85,;19.38,-11.53,;18.04,-10.77,;18.03,-9.23,;16.69,-8.47,;15.36,-9.24,;15.38,-10.78,;14.02,-8.49,;12.7,-9.26,;11.36,-8.51,;10.03,-9.28,;8.69,-8.52,;8.68,-6.98,;7.36,-9.3,;6.02,-8.54,;4.69,-9.32,;3.36,-8.56,;2.03,-9.34,;.68,-8.58,;-.64,-9.35,;-1.98,-8.6,;-.63,-10.89,;-1.96,-11.68,;-1.95,-13.22,;-.62,-13.97,;.71,-13.2,;.71,-11.66,;2.04,-12.42,;3.39,-13.18,;2.04,-10.88,;-.61,-15.51,;-1.93,-16.3,;-3.27,-15.53,;-4.6,-16.3,;-4.6,-17.85,;-5.93,-18.61,;-3.27,-18.62,;-1.92,-17.84,;-.59,-18.61,;.74,-17.83,;2.07,-18.58,;3.4,-17.81,;4.74,-18.57,;3.39,-16.27,;2.05,-15.51,;.74,-16.28,;11.34,-6.96,;12.68,-6.18,;10.01,-6.2,;19.36,-8.45,;20.7,-9.21,;19.35,-6.91,;22.05,-11.52,;23.38,-10.73,;20.7,-10.75,)|
Show InChI InChI=1S/C40H43N4O19P/c45-21-6-9-24-30(17-21)63-31-18-22(46)7-10-25(31)35(24)23-8-5-20(16-26(23)37(52)53)36(51)41-15-3-1-2-4-32(47)42-27(38(54)55)11-13-33(48)43-29(40(58)59)19-62-64(60,61)44-28(39(56)57)12-14-34(49)50/h5-10,16-18,27-29,45H,1-4,11-15,19H2,(H,41,51)(H,42,47)(H,43,48)(H,49,50)(H,52,53)(H,54,55)(H,56,57)(H,58,59)(H2,44,60,61)/t27-,28-,29-/m0/s1
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Similars
Article
PubMed
n/an/a 0.350n/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