Compile Data Set for Download or QSAR

Found 48 hits with Last Name = 'böhnke' and Initial = 'n'   

Target/Host (Institution)	Ligand	Target/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	pH	Temp °C
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50246899 ((S)-2-(3-((S)-1-carboxy-5-(4-iodobenzamido)pentyl)...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H24IN3O8/c20-12-6-4-11(5-7-12)16(26)21-10-2-1-3-13(17(27)28)22-19(31)23-14(18(29)30)8-9-15(24)25/h4-7,13-14H,1-3,8-10H2,(H,21,26)(H,24,25)(H,27,28)(H,29,30)(H2,22,23,31)/t13-,14-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	MMDB PDB Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17759 ((2S)-2-(phosphonomethyl)pentanedioic acid | (S)-2-...) Show SMILES OC(=O)CC[C@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	0.100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17659 ((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...) Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17659 ((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...) Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398811 (CHEMBL2177507) Show SMILES OC(=O)[C@@H](F)C[C@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H10FO7P/c7-4(6(10)11)1-3(5(8)9)2-15(12,13)14/h3-4H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,4+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398808 (CHEMBL2177506) Show SMILES OC(=O)[C@H](F)C[C@@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H10FO7P/c7-4(6(10)11)1-3(5(8)9)2-15(12,13)14/h3-4H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,4+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398810 (CHEMBL2177509) Show SMILES OC(=O)[C@H](F)C[C@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H10FO7P/c7-4(6(10)11)1-3(5(8)9)2-15(12,13)14/h3-4H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,4-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50304722 ((S)-2-(3-((S)-1-Carboxybut-3-ynyl)ureido)-6-(4-iod...) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC#C)C(O)=O |r| Show InChI InChI=1S/C19H22IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h1,7-10,14-15H,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50304731 ((S)-2-(3-((S)-1-Carboxy-2-(furan-2-yl)ethyl)ureido...) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1ccco1)C(O)=O |r| Show InChI InChI=1S/C21H24IN3O7/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid PDB UniChem Similars	PDB Article PubMed	5.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50102258 ((S)-2-[3-((S)-3-Carboxy-1-carboxy-propyl)-ureido]-...) Show SMILES OC(=O)CC[C@H](NC(=O)N[C@@H](CCC(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C11H16N2O9/c14-7(15)3-1-5(9(18)19)12-11(22)13-6(10(20)21)2-4-8(16)17/h5-6H,1-4H2,(H,14,15)(H,16,17)(H,18,19)(H,20,21)(H2,12,13,22)/t5-,6-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50304751 ((S)-2-(3-((S)-1-Carboxybut-3-enyl)ureido)-6-(4-iod...) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](CC=C)C(O)=O |r| Show InChI InChI=1S/C19H24IN3O6/c1-2-5-14(17(25)26)22-19(29)23-15(18(27)28)6-3-4-11-21-16(24)12-7-9-13(20)10-8-12/h2,7-10,14-15H,1,3-6,11H2,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50304735 ((S)-2-(3-((S)-1-Carboxy-2-(thiazol-4-yl)ethyl)urei...) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1cscn1)C(O)=O |r| Show InChI InChI=1S/C20H23IN4O6S/c21-13-6-4-12(5-7-13)17(26)22-8-2-1-3-15(18(27)28)24-20(31)25-16(19(29)30)9-14-10-32-11-23-14/h4-7,10-11,15-16H,1-3,8-9H2,(H,22,26)(H,27,28)(H,29,30)(H2,24,25,31)/t15-,16-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	16.1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50304732 ((S)-2-(3-((S)-1-Carboxy-2-(thiophen-2-yl)ethyl)ure...) Show SMILES OC(=O)[C@H](CCCCNC(=O)c1ccc(I)cc1)NC(=O)N[C@@H](Cc1cccs1)C(O)=O |r| Show InChI InChI=1S/C21H24IN3O6S/c22-14-8-6-13(7-9-14)18(26)23-10-2-1-5-16(19(27)28)24-21(31)25-17(20(29)30)12-15-4-3-11-32-15/h3-4,6-9,11,16-17H,1-2,5,10,12H2,(H,23,26)(H,27,28)(H,29,30)(H2,24,25,31)/t16-,17-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16.2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398809 (CHEMBL2177510) Show SMILES OC(=O)[C@@H](F)C[C@@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H10FO7P/c7-4(6(10)11)1-3(5(8)9)2-15(12,13)14/h3-4H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,4-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50304727 ((S)-2-(3-((S)-1-Carboxy-3-(methylthio)propyl)ureid...) Show SMILES CSCC[C@H](NC(=O)N[C@@H](CCCCNC(=O)c1ccc(I)cc1)C(O)=O)C(O)=O |r| Show InChI InChI=1S/C19H26IN3O6S/c1-30-11-9-15(18(27)28)23-19(29)22-14(17(25)26)4-2-3-10-21-16(24)12-5-7-13(20)8-6-12/h5-8,14-15H,2-4,9-11H2,1H3,(H,21,24)(H,25,26)(H,27,28)(H2,22,23,29)/t14-,15-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17758 ((2R)-2-(phosphonomethyl)pentanedioic acid | (R)-2-...) Show SMILES OC(=O)CC[C@@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)/t4-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398808 (CHEMBL2177506) Show SMILES OC(=O)[C@H](F)C[C@@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H10FO7P/c7-4(6(10)11)1-3(5(8)9)2-15(12,13)14/h3-4H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,4+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	36.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398812 (CHEMBL2177511) Show SMILES OC(=O)[C@@H](C[C@H](NC(=O)N[C@@H](C[C@@H](Cc1ccccc1)C(O)=O)C(O)=O)C(O)=O)Cc1ccccc1 |r| Show InChI InChI=1S/C25H28N2O9/c28-21(29)17(11-15-7-3-1-4-8-15)13-19(23(32)33)26-25(36)27-20(24(34)35)14-18(22(30)31)12-16-9-5-2-6-10-16/h1-10,17-20H,11-14H2,(H,28,29)(H,30,31)(H,32,33)(H,34,35)(H2,26,27,36)/t17-,18-,19+,20+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	392	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50048693 (2-Phosphonomethyl-succinic acid | 2-Phosphonomethy...) Show SMILES OC(=O)CC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C5H9O7P/c6-4(7)1-3(5(8)9)2-13(10,11)12/h3H,1-2H2,(H,6,7)(H,8,9)(H2,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398813 (CHEMBL2114987) Show SMILES C[C@@H](C[C@H](NC(=O)N[C@@H](C[C@H](C)C(O)=O)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C13H20N2O9/c1-5(9(16)17)3-7(11(20)21)14-13(24)15-8(12(22)23)4-6(2)10(18)19/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H2,14,15,24)/t5-,6-,7-,8-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.11E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398814 (CHEMBL2115435) Show SMILES C[C@H](C[C@H](NC(=O)N[C@@H](C[C@@H](C)C(O)=O)C(O)=O)C(O)=O)C(O)=O Show InChI InChI=1S/C13H20N2O9/c1-5(9(16)17)3-7(11(20)21)14-13(24)15-8(12(22)23)4-6(2)10(18)19/h5-8H,3-4H2,1-2H3,(H,16,17)(H,18,19)(H,20,21)(H,22,23)(H2,14,15,24)/t5-,6-,7+,8+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.29E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187124 (US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17659 ((R,S)-2-phosphonomethylpentanedioic acid | 2-(phos...) Show SMILES OC(=O)CCC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C6H11O7P/c7-5(8)2-1-4(6(9)10)3-14(11,12)13/h4H,1-3H2,(H,7,8)(H,9,10)(H2,11,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187124 (US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187122 (US9670161, 3 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F Show InChI InChI=1S/C19H16F3N3O3S/c1-28-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(5-17(22)24-19)10-29(2,26)27/h3-9H,10H2,1-2H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187121 (US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F Show InChI InChI=1S/C20H19F2N3O3S/c1-12-6-13(11-29(3,26)27)7-20(24-12)25-19-9-16(17(22)10-23-19)15-5-4-14(21)8-18(15)28-2/h4-10H,11H2,1-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187120 (US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F Show InChI InChI=1S/C19H17F2N3O3S/c1-27-17-8-13(20)3-4-14(17)15-9-19(23-10-16(15)21)24-18-7-12(5-6-22-18)11-28(2,25)26/h3-10H,11H2,1-2H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187120 (US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F Show InChI InChI=1S/C19H17F2N3O3S/c1-27-17-8-13(20)3-4-14(17)15-9-19(23-10-16(15)21)24-18-7-12(5-6-22-18)11-28(2,25)26/h3-10H,11H2,1-2H3,(H,22,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187122 (US9670161, 3 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F Show InChI InChI=1S/C19H16F3N3O3S/c1-28-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(5-17(22)24-19)10-29(2,26)27/h3-9H,10H2,1-2H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187121 (US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F Show InChI InChI=1S/C20H19F2N3O3S/c1-12-6-13(11-29(3,26)27)7-20(24-12)25-19-9-16(17(22)10-23-19)15-5-4-14(21)8-18(15)28-2/h4-10H,11H2,1-3H3,(H,23,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187123 (US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchase from...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398811 (CHEMBL2177507) Show SMILES OC(=O)[C@@H](F)C[C@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H10FO7P/c7-4(6(10)11)1-3(5(8)9)2-15(12,13)14/h3-4H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,4+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-T1/Cyclin-dependent kinase 9 (Homo sapiens (Human))	BDBM187123 (US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant full-length His-tagged human CDK9 and CycT1, expressed in insect cells and purified by Ni-NTA affinity chromatography, were purchased fro...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398808 (CHEMBL2177506) Show SMILES OC(=O)[C@H](F)C[C@@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H10FO7P/c7-4(6(10)11)1-3(5(8)9)2-15(12,13)14/h3-4H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,4+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	6.80	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187124 (US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398810 (CHEMBL2177509) Show SMILES OC(=O)[C@H](F)C[C@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H10FO7P/c7-4(6(10)11)1-3(5(8)9)2-15(12,13)14/h3-4H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,4-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.10	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187123 (US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	52	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398809 (CHEMBL2177510) Show SMILES OC(=O)[C@@H](F)C[C@@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H10FO7P/c7-4(6(10)11)1-3(5(8)9)2-15(12,13)14/h3-4H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,4-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	55.9	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187122 (US9670161, 3 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F Show InChI InChI=1S/C19H16F3N3O3S/c1-28-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(5-17(22)24-19)10-29(2,26)27/h3-9H,10H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	65	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187121 (US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F Show InChI InChI=1S/C20H19F2N3O3S/c1-12-6-13(11-29(3,26)27)7-20(24-12)25-19-9-16(17(22)10-23-19)15-5-4-14(21)8-18(15)28-2/h4-10H,11H2,1-3H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	70	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50398808 (CHEMBL2177506) Show SMILES OC(=O)[C@H](F)C[C@@H](CP(O)(O)=O)C(O)=O |r| Show InChI InChI=1S/C6H10FO7P/c7-4(6(10)11)1-3(5(8)9)2-15(12,13)14/h3-4H,1-2H2,(H,8,9)(H,10,11)(H2,12,13,14)/t3-,4+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	89.4	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Inhibition of NAALADase activity in human LNCaP cell membranes assessed as inhibition of [3H]NAG conversion to [3H]glutamate after 30 mins by liquid ...				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187124 (US9670161, 5 N-{6-(Difluoromethyl)-4-[(methylsulfo...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)F)ncc1F Show InChI InChI=1S/C20H17F4N3O3S/c1-30-17-7-12(21)3-4-13(17)14-8-18(25-9-15(14)22)27-19-6-11(10-31(2,28)29)5-16(26-19)20(23)24/h3-9,20H,10H2,1-2H3,(H,25,26,27)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	103	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187123 (US9670161, 4 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(n2)C(F)(F)F)ncc1F Show InChI InChI=1S/C20H16F5N3O3S/c1-31-16-7-12(21)3-4-13(16)14-8-18(26-9-15(14)22)28-19-6-11(10-32(2,29)30)5-17(27-19)20(23,24)25/h3-9H,10H2,1-2H3,(H,26,27,28)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	169	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187120 (US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F Show InChI InChI=1S/C19H17F2N3O3S/c1-27-17-8-13(20)3-4-14(17)15-9-19(23-10-16(15)21)24-18-7-12(5-6-22-18)11-28(2,25)26/h3-10H,11H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	170	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50106556 (2-Phosphonomethyl-hexanedioic acid | CHEMBL334737) Show SMILES OC(=O)CCCC(CP(O)(O)=O)C(O)=O Show InChI InChI=1S/C7H13O7P/c8-6(9)3-1-2-5(7(10)11)4-15(12,13)14/h5H,1-4H2,(H,8,9)(H,10,11)(H2,12,13,14)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	185	n/a	n/a	n/a	n/a	n/a	n/a
Bayer HealthCare Curated by ChEMBL					Assay Description Binding affinity to NAALADase				J Med Chem 55: 9510-20 (2012) Article DOI: 10.1021/jm300710j BindingDB Entry DOI: 10.7270/Q28053R3
					More data for this Ligand-Target Pair				3D Structure (docked)
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187121 (US9670161, 2 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(C)n2)ncc1F Show InChI InChI=1S/C20H19F2N3O3S/c1-12-6-13(11-29(3,26)27)7-20(24-12)25-19-9-16(17(22)10-23-19)15-5-4-14(21)8-18(15)28-2/h4-10H,11H2,1-3H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	625	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187122 (US9670161, 3 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)cc(F)n2)ncc1F Show InChI InChI=1S/C19H16F3N3O3S/c1-28-16-7-12(20)3-4-13(16)14-8-18(23-9-15(14)21)25-19-6-11(5-17(22)24-19)10-29(2,26)27/h3-9H,10H2,1-2H3,(H,23,24,25)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	787	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair
Cyclin-dependent kinase 2/G1/S-specific cyclin-E1 (Homo sapiens (Human))	BDBM187120 (US9670161, 1 5-Fluoro-4-(4-fluoro-2-methoxyphenyl)...) Show SMILES COc1cc(F)ccc1-c1cc(Nc2cc(CS(C)(=O)=O)ccn2)ncc1F Show InChI InChI=1S/C19H17F2N3O3S/c1-27-17-8-13(20)3-4-14(17)15-9-19(23-10-16(15)21)24-18-7-12(5-6-22-18)11-28(2,25)26/h3-10H,11H2,1-2H3,(H,22,23,24)	PDB UniProtKB/SwissProt antibodypedia antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.18E+3	n/a	n/a	n/a	n/a	8.0	n/a
BAYER PHARMA AKTIENGESELLSCHAFT US Patent					Assay Description Recombinant fusion proteins of GST and human CDK2 and of GST and human CycE, expressed in insect cells (Sf9) and purified by Glutathion-Sepharose aff...				US Patent US9670161 (2017) BindingDB Entry DOI: 10.7270/Q29G5K05
					More data for this Ligand-Target Pair