Compile Data Set for Download or QSAR

Found 71 hits with Last Name = 'grella' and Initial = 'bs'   

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))	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	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]-L-glutamate as a substrate				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50109593 (2-Benzyl-3-mercapto-propionic acid | 2-Mercaptomet...) Show SMILES OC(=O)C(CS)Cc1ccccc1 Show InChI InChI=1S/C10H12O2S/c11-10(12)9(7-13)6-8-4-2-1-3-5-8/h1-5,9,13H,6-7H2,(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description In vitro inhibitory activity against glutamate carboxypeptidase II (GCP II) using N-acetyl-L-aspartyl-[3H]-L-glutamate as a substrate				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					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	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Renin (Homo sapiens (Human))	BDBM17989 (1,4-benzoxazin-3-one, 26 | N-{2-[6-(2,4-diamino-6-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCNC(C)=O)c2c1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C25H26F2N6O3/c1-4-18-21(22(28)32-24(29)31-18)14-5-6-20-19(9-14)33(8-7-30-13(2)34)23(35)25(3,36-20)15-10-16(26)12-17(27)11-15/h5-6,9-12H,4,7-8H2,1-3H3,(H,30,34)(H4,28,29,31,32)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392040 (CHEMBL2152556) Show SMILES OC(=O)c1cccc(COc2ccc(CS)cc2C(O)=O)c1 Show InChI InChI=1S/C16H14O5S/c17-15(18)12-3-1-2-10(6-12)8-21-14-5-4-11(9-22)7-13(14)16(19)20/h1-7,22H,8-9H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392045 (CHEMBL2152561) Show SMILES OC(=O)c1cccc(c1)-c1cccc(CCS)c1C(O)=O Show InChI InChI=1S/C16H14O4S/c17-15(18)12-5-1-4-11(9-12)13-6-2-3-10(7-8-21)14(13)16(19)20/h1-6,9,21H,7-8H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17950 ((2S,4S,5S,7S)-5-amino-N-(2-carbamoyl-2,2-dimethyle...) Show SMILES COCCCOc1cc(C[C@@H](C[C@H](N)[C@@H](O)C[C@@H](C(C)C)C(=O)NCC(C)(C)C(N)=O)C(C)C)ccc1OC |r| Show InChI InChI=1S/C30H53N3O6/c1-19(2)22(14-21-10-11-26(38-8)27(15-21)39-13-9-12-37-7)16-24(31)25(34)17-23(20(3)4)28(35)33-18-30(5,6)29(32)36/h10-11,15,19-20,22-25,34H,9,12-14,16-18,31H2,1-8H3,(H2,32,36)(H,33,35)/t22-,23-,24-,25-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392046 (CHEMBL2152562) Show SMILES OC(=O)c1ccc(cc1)-c1cccc(CCS)c1C(O)=O Show InChI InChI=1S/C16H14O4S/c17-15(18)12-6-4-10(5-7-12)13-3-1-2-11(8-9-21)14(13)16(19)20/h1-7,21H,8-9H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50330347 (6-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-(3,5-difl...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCOC)c2c1)c1cc(F)cc(F)c1 |w:15.16| Show InChI InChI=1S/C25H27F2N5O3/c1-4-18-21(22(28)31-24(29)30-18)14-6-7-20-19(10-14)32(8-5-9-34-3)23(33)25(2,35-20)15-11-16(26)13-17(27)12-15/h6-7,10-13H,4-5,8-9H2,1-3H3,(H4,28,29,30,31)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17762 (3-[2-carboxy-2-(3-sulfanylpropyl)ethyl]benzoic aci...) Show SMILES OC(=O)C(CCCS)Cc1cccc(c1)C(O)=O Show InChI InChI=1S/C13H16O4S/c14-12(15)10-4-1-3-9(7-10)8-11(13(16)17)5-2-6-18/h1,3-4,7,11,18H,2,5-6,8H2,(H,14,15)(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	15	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392041 (CHEMBL2152557) Show SMILES OC(=O)c1ccc(COc2ccc(CS)cc2C(O)=O)cc1 Show InChI InChI=1S/C16H14O5S/c17-15(18)12-4-1-10(2-5-12)8-21-14-6-3-11(9-22)7-13(14)16(19)20/h1-7,22H,8-9H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H26N6O3/c1-5-13-16(17(21)25-19(22)24-13)12-6-7-15-14(10-12)26(9-8-23-11(2)27)18(28)20(3,4)29-15/h6-7,10H,5,8-9H2,1-4H3,(H,23,27)(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50332228 (1-(3-Carboxyphenyl)-3-(2-mercapto-ethyl)-1H-indole...) Show SMILES OC(=O)c1c(CCS)c2ccccc2n1-c1cccc(c1)C(O)=O Show InChI InChI=1S/C18H15NO4S/c20-17(21)11-4-3-5-12(10-11)19-15-7-2-1-6-13(15)14(8-9-24)16(19)18(22)23/h1-7,10,24H,8-9H2,(H,20,21)(H,22,23)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392036 (CHEMBL2152437) Show SMILES OC(=O)c1cccc(c1)-c1ccc(CS)cc1C(O)=O Show InChI InChI=1S/C15H12O4S/c16-14(17)11-3-1-2-10(7-11)12-5-4-9(8-20)6-13(12)15(18)19/h1-7,20H,8H2,(H,16,17)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392039 (CHEMBL2152555) Show SMILES OC(=O)c1ccccc1COc1ccc(CS)cc1C(O)=O Show InChI InChI=1S/C16H14O5S/c17-15(18)12-4-2-1-3-11(12)8-21-14-6-5-10(9-22)7-13(14)16(19)20/h1-7,22H,8-9H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	41	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268115 (CHEMBL4080664) Show SMILES CCc1nc(N)cc(OC)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H28N4O4/c1-6-15-20(18(29-5)12-19(23)25-15)14-7-8-17-16(11-14)26(10-9-24-13(2)27)21(28)22(3,4)30-17/h7-8,11-12H,6,9-10H2,1-5H3,(H2,23,25)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	45	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18011 ((2S)-6-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-(3,5-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2O[C@](C)(C(=O)N(CCCC(F)(F)F)c2c1)c1cc(F)cc(F)c1 |r| Show InChI InChI=1S/C25H24F5N5O2/c1-3-17-20(21(31)34-23(32)33-17)13-5-6-19-18(9-13)35(8-4-7-25(28,29)30)22(36)24(2,37-19)14-10-15(26)12-16(27)11-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H4,31,32,33,34)/t24-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392037 (CHEMBL2152438) Show SMILES OC(=O)c1ccc(cc1)-c1ccc(CS)cc1C(O)=O Show InChI InChI=1S/C15H12O4S/c16-14(17)11-4-2-10(3-5-11)12-6-1-9(8-20)7-13(12)15(18)19/h1-7,20H,8H2,(H,16,17)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	52	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268089 (CHEMBL4075401) Show SMILES CCc1nc(N)cc(C)c1-c1ccc(F)c2c(C)c(CCOC)[nH]c12 |(16.59,-20.94,;17.92,-21.71,;17.92,-23.25,;16.59,-24.02,;16.59,-25.56,;15.25,-26.33,;17.92,-26.33,;19.26,-25.56,;20.59,-26.33,;19.26,-24.02,;20.59,-23.25,;20.59,-21.71,;21.92,-20.94,;23.25,-21.71,;24.59,-20.94,;23.25,-23.25,;24.4,-24.28,;25.9,-23.96,;23.77,-25.69,;24.54,-27.02,;26.08,-27.02,;26.85,-28.35,;28.39,-28.35,;22.24,-25.53,;21.92,-24.02,)| Show InChI InChI=1S/C20H24FN3O/c1-5-15-18(11(2)10-17(22)23-15)13-6-7-14(21)19-12(3)16(8-9-25-4)24-20(13)19/h6-7,10,24H,5,8-9H2,1-4H3,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	60	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268114 (CHEMBL4098706) Show SMILES CCc1nc(N)cc(C)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C22H28N4O3/c1-6-16-20(13(2)11-19(23)25-16)15-7-8-18-17(12-15)26(10-9-24-14(3)27)21(28)22(4,5)29-18/h7-8,11-12H,6,9-10H2,1-5H3,(H2,23,25)(H,24,27)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392049 (CHEMBL2152565) Show SMILES OC(=O)c1cccc(COc2cccc(CCS)c2C(O)=O)c1 Show InChI InChI=1S/C17H16O5S/c18-16(19)13-5-1-3-11(9-13)10-22-14-6-2-4-12(7-8-23)15(14)17(20)21/h1-6,9,23H,7-8,10H2,(H,18,19)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17755 (2-(3-sulfanylpropyl)pentanedioic acid | 2-MPPA | C...) Show SMILES OC(=O)CCC(CCCS)C(O)=O Show InChI InChI=1S/C8H14O4S/c9-7(10)4-3-6(8(11)12)2-1-5-13/h6,13H,1-5H2,(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM17755 (2-(3-sulfanylpropyl)pentanedioic acid | 2-MPPA | C...) Show SMILES OC(=O)CCC(CCCS)C(O)=O Show InChI InChI=1S/C8H14O4S/c9-7(10)4-3-6(8(11)12)2-1-5-13/h6,13H,1-5H2,(H,9,10)(H,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	90	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268120 (CHEMBL4083180) Show SMILES CCc1nc(N)cc(C)c1-c1cc(F)c(F)c2c(C)c(CCOC)[nH]c12 |(16.4,-24.11,;17.74,-24.87,;17.75,-26.41,;16.43,-27.19,;16.44,-28.73,;15.11,-29.52,;17.78,-29.49,;19.11,-28.71,;20.45,-29.47,;19.1,-27.17,;20.42,-26.39,;20.4,-24.85,;21.73,-24.06,;21.72,-22.52,;23.07,-24.82,;24.4,-24.04,;23.09,-26.36,;24.24,-27.38,;25.75,-27.05,;23.63,-28.79,;24.41,-30.12,;25.95,-30.11,;26.74,-31.43,;28.27,-31.42,;22.1,-28.65,;21.76,-27.14,)| Show InChI InChI=1S/C20H23F2N3O/c1-5-14-17(10(2)8-16(23)24-14)12-9-13(21)19(22)18-11(3)15(6-7-26-4)25-20(12)18/h8-9,25H,5-7H2,1-4H3,(H2,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268117 (CHEMBL4088533) Show SMILES CCc1nc(N)cc(C)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(=O)OC)c2c1 Show InChI InChI=1S/C22H28N4O4/c1-6-15-19(13(2)11-18(23)25-15)14-7-8-17-16(12-14)26(10-9-24-21(28)29-5)20(27)22(3,4)30-17/h7-8,11-12H,6,9-10H2,1-5H3,(H2,23,25)(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	121	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392048 (CHEMBL2152564) Show SMILES OC(=O)c1ccccc1COc1cccc(CCS)c1C(O)=O Show InChI InChI=1S/C17H16O5S/c18-16(19)13-6-2-1-4-12(13)10-22-14-7-3-5-11(8-9-23)15(14)17(20)21/h1-7,23H,8-10H2,(H,18,19)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18010 (1,4-benzoxazin-3-one, rac-47 | 6-(2,4-diamino-6-et...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C(=O)N(CCCC(F)(F)F)c2c1)c1cc(F)cc(F)c1 Show InChI InChI=1S/C25H24F5N5O2/c1-3-17-20(21(31)34-23(32)33-17)13-5-6-19-18(9-13)35(8-4-7-25(28,29)30)22(36)24(2,37-19)14-10-15(26)12-16(27)11-14/h5-6,9-12H,3-4,7-8H2,1-2H3,(H4,31,32,33,34)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	141	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM17983 (1,4-benzoxazin-3-one, 20 | N-{2-[6-(2,4-diamino-6-...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2OC(C)(C)C(=O)N(CCNC(C)=O)c2c1 Show InChI InChI=1S/C20H26N6O3/c1-5-13-16(17(21)25-19(22)24-13)12-6-7-15-14(10-12)26(9-8-23-11(2)27)18(28)20(3,4)29-15/h6-7,10H,5,8-9H2,1-4H3,(H,23,27)(H4,21,22,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	DrugBank MMDB PC cid PC sid PDB UniChem Similars	MMDB PDB Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (crystal)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392050 (CHEMBL2152566) Show SMILES OC(=O)c1ccc(COc2cccc(CCS)c2C(O)=O)cc1 Show InChI InChI=1S/C17H16O5S/c18-16(19)13-6-4-11(5-7-13)10-22-14-3-1-2-12(8-9-23)15(14)17(20)21/h1-7,23H,8-10H2,(H,18,19)(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392047 (CHEMBL2152563) Show SMILES OC(=O)c1c(CCS)cccc1OCc1ccccc1 Show InChI InChI=1S/C16H16O3S/c17-16(18)15-13(9-10-20)7-4-8-14(15)19-11-12-5-2-1-3-6-12/h1-8,20H,9-11H2,(H,17,18)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268122 (CHEMBL4061317) Show SMILES CCc1nc(N)cc(C)c1-c1cccc2c(C)c(CCCOC)[nH]c12 |(17.14,-24.48,;18.47,-25.25,;18.47,-26.79,;17.14,-27.56,;17.14,-29.1,;15.8,-29.87,;18.47,-29.87,;19.8,-29.1,;21.13,-29.87,;19.8,-27.56,;21.13,-26.79,;21.13,-25.25,;22.47,-24.48,;23.8,-25.25,;23.8,-26.79,;24.95,-27.82,;26.46,-27.5,;24.32,-29.23,;25.09,-30.56,;26.63,-30.56,;27.4,-29.23,;28.94,-29.23,;29.71,-27.89,;22.79,-29.07,;22.47,-27.56,)| Show InChI InChI=1S/C21H27N3O/c1-5-17-20(13(2)12-19(22)23-17)16-9-6-8-15-14(3)18(24-21(15)16)10-7-11-25-4/h6,8-9,12,24H,5,7,10-11H2,1-4H3,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	220	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268088 (CHEMBL4092429) Show SMILES CCc1nc(N)cc(C)c1-c1cccc2c(C)c(CCOC)[nH]c12 |(16.45,-21.76,;17.79,-22.53,;17.79,-24.07,;16.45,-24.84,;16.45,-26.38,;15.12,-27.15,;17.79,-27.15,;19.12,-26.38,;20.46,-27.15,;19.12,-24.84,;20.46,-24.07,;20.46,-22.53,;21.79,-21.76,;23.12,-22.53,;23.12,-24.07,;24.27,-25.1,;25.77,-24.78,;23.64,-26.51,;24.41,-27.84,;25.95,-27.84,;26.72,-29.17,;28.26,-29.17,;22.11,-26.34,;21.79,-24.84,)| Show InChI InChI=1S/C20H25N3O/c1-5-16-19(12(2)11-18(21)22-16)15-8-6-7-14-13(3)17(9-10-24-4)23-20(14)15/h6-8,11,23H,5,9-10H2,1-4H3,(H2,21,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392044 (CHEMBL2152560) Show SMILES OC(=O)c1ccccc1-c1cccc(CCS)c1C(O)=O Show InChI InChI=1S/C16H14O4S/c17-15(18)13-6-2-1-5-11(13)12-7-3-4-10(8-9-21)14(12)16(19)20/h1-7,21H,8-9H2,(H,17,18)(H,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268116 (CHEMBL4075327) Show SMILES CCc1nc(N)cc(C)c1-c1ccc2OC(C)(C)C(=O)N(CCCOC)c2c1 Show InChI InChI=1S/C22H29N3O3/c1-6-16-20(14(2)12-19(23)24-16)15-8-9-18-17(13-15)25(10-7-11-27-5)21(26)22(3,4)28-18/h8-9,12-13H,6-7,10-11H2,1-5H3,(H2,23,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	267	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392035 (CHEMBL2152436) Show SMILES OC(=O)c1ccccc1-c1ccc(CS)cc1C(O)=O Show InChI InChI=1S/C15H12O4S/c16-14(17)12-4-2-1-3-10(12)11-6-5-9(8-20)7-13(11)15(18)19/h1-7,20H,8H2,(H,16,17)(H,18,19)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268119 (CHEMBL4088532) Show SMILES CCc1nc(N)cc(C)c1-c1cc(F)cc2c(C)c(CCOC)[nH]c12 |(18.02,-21.94,;19.36,-22.7,;19.36,-24.24,;18.02,-25.02,;18.02,-26.56,;16.69,-27.32,;19.35,-27.32,;20.69,-26.55,;22.02,-27.32,;20.69,-25.02,;22.03,-24.24,;22.02,-22.7,;23.36,-21.94,;23.36,-20.4,;24.69,-22.7,;24.68,-24.24,;25.83,-25.27,;27.34,-24.96,;25.21,-26.68,;25.98,-28.02,;27.52,-28.02,;28.29,-29.35,;29.83,-29.35,;23.68,-26.52,;23.35,-25.01,)| Show InChI InChI=1S/C20H24FN3O/c1-5-16-19(11(2)8-18(22)23-16)15-10-13(21)9-14-12(3)17(6-7-25-4)24-20(14)15/h8-10,24H,5-7H2,1-4H3,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392038 (CHEMBL2152439) Show SMILES OC(=O)c1cc(CS)ccc1OCc1ccccc1 Show InChI InChI=1S/C15H14O3S/c16-15(17)13-8-12(10-19)6-7-14(13)18-9-11-4-2-1-3-5-11/h1-8,19H,9-10H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	420	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268112 (CHEMBL4078887) Show SMILES CCc1nc(N)cc(C)c1-c1ccc2CCCN(CCCOC)c2c1 Show InChI InChI=1S/C21H29N3O/c1-4-18-21(15(2)13-20(22)23-18)17-9-8-16-7-5-10-24(19(16)14-17)11-6-12-25-3/h8-9,13-14H,4-7,10-12H2,1-3H3,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	491	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268090 (CHEMBL4102221) Show SMILES CCc1nc(N)cc(OC)c1-c1ccc2CCCN(CCCOC)c2c1 Show InChI InChI=1S/C21H29N3O2/c1-4-17-21(19(26-3)14-20(22)23-17)16-9-8-15-7-5-10-24(18(15)13-16)11-6-12-25-2/h8-9,13-14H,4-7,10-12H2,1-3H3,(H2,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM18037 (6-ethyl-2,4-diaminopyrimidine-based compound, 5 | ...) Show SMILES CCc1nc(N)nc(N)c1-c1ccc2CCCN(CCCOC)c2c1 Show InChI InChI=1S/C19H27N5O/c1-3-15-17(18(20)23-19(21)22-15)14-8-7-13-6-4-9-24(16(13)12-14)10-5-11-25-2/h7-8,12H,3-6,9-11H2,1-2H3,(H4,20,21,22,23)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	512	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50127617 (2-(2-Mercapto-ethyl)-pentanedioic acid | CHEMBL292...) Show SMILES OC(=O)CCC(CCS)C(O)=O Show InChI InChI=1S/C7H12O4S/c8-6(9)2-1-5(3-4-12)7(10)11/h5,12H,1-4H2,(H,8,9)(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392042 (CHEMBL2152558) Show SMILES OC(=O)c1ccccc1CCS Show InChI InChI=1S/C9H10O2S/c10-9(11)8-4-2-1-3-7(8)5-6-12/h1-4,12H,5-6H2,(H,10,11)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	930	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50127612 (2-(4-Mercapto-butyl)-pentanedioic acid | CHEMBL603...) Show SMILES OC(=O)CCC(CCCCS)C(O)=O Show InChI InChI=1S/C9H16O4S/c10-8(11)5-4-7(9(12)13)3-1-2-6-14/h7,14H,1-6H2,(H,10,11)(H,12,13)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	1.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50127615 (2-(2-Phosphonooxy-ethyl)-pentanedioic acid | CHEMB...) Show SMILES OC(=O)CCC(CCP(O)(O)=O)C(O)=O Show InChI InChI=1S/C7H13O7P/c8-6(9)2-1-5(7(10)11)3-4-15(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	Article PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					More data for this Ligand-Target Pair				3D Structure (docked)
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392051 (CHEMBL2152434) Show SMILES OC(=O)c1cccc(CS)c1 Show InChI InChI=1S/C8H8O2S/c9-8(10)7-3-1-2-6(4-7)5-11/h1-4,11H,5H2,(H,9,10)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Renin (Homo sapiens (Human))	BDBM50268087 (CHEMBL4071636) Show SMILES COCCc1[nH]c2c(cccc2c1C)-c1c(C)cc(N)nc1C |(26.26,-31.56,;24.72,-31.56,;23.95,-30.23,;22.41,-30.23,;21.64,-28.9,;20.11,-28.73,;19.78,-27.24,;18.45,-26.46,;18.45,-24.92,;19.78,-24.15,;21.12,-24.92,;21.12,-26.46,;22.26,-27.49,;23.77,-27.17,;17.12,-27.24,;17.12,-28.78,;18.45,-29.54,;15.78,-29.54,;14.45,-28.78,;13.11,-29.54,;14.45,-27.24,;15.78,-26.46,;15.78,-24.92,)| Show InChI InChI=1S/C19H23N3O/c1-11-10-17(20)21-13(3)18(11)15-7-5-6-14-12(2)16(8-9-23-4)22-19(14)15/h5-7,10,22H,8-9H2,1-4H3,(H2,20,21)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.33E+3	n/a	n/a	n/a	n/a	n/a	n/a
BioLeap, Inc., 6350 Quadrangle Drive, Suite 110, Chapel Hill, NC 27517, United States. Electronic address: isclou@gmail.com. Curated by ChEMBL					Assay Description Inhibition of recombinant human renin using 5-FAM/QXL 520 as substrate pretreated for 30 mins followed by substrate addition measured at 1 min interv...				Bioorg Med Chem 25: 3947-3963 (2017) Article DOI: 10.1016/j.bmc.2017.05.032 BindingDB Entry DOI: 10.7270/Q2X63QD8
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50392043 (CHEMBL2152559) Show SMILES OC(=O)c1c(CCS)cccc1-c1ccccc1 Show InChI InChI=1S/C15H14O2S/c16-15(17)14-12(9-10-18)7-4-8-13(14)11-5-2-1-3-6-11/h1-8,18H,9-10H2,(H,16,17)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50127619 (5-Mercapto-pentanoic acid | CHEMBL294565) Show SMILES OC(=O)CCCCS Show InChI InChI=1S/C5H10O2S/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Guilford Pharmaceuticals Inc. Curated by ChEMBL					Assay Description Inhibition of N-acetyl-L-aspartyl-[3H]-L-glutamate binding to glutamate carboxypeptidase II (GCP II)				J Med Chem 46: 1989-96 (2003) Article DOI: 10.1021/jm020515w BindingDB Entry DOI: 10.7270/Q2SQ8ZRG
					More data for this Ligand-Target Pair
Glutamate carboxypeptidase 2 (Homo sapiens (Human))	BDBM50127619 (5-Mercapto-pentanoic acid | CHEMBL294565) Show SMILES OC(=O)CCCCS Show InChI InChI=1S/C5H10O2S/c6-5(7)3-1-2-4-8/h8H,1-4H2,(H,6,7)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents	Article PubMed	n/a	n/a	1.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Eisai Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant GCP2 using N-acetyl-L-aspartyl-[3H]-L-glutamate as substrate by microplate assay				J Med Chem 55: 5922-32 (2012) Article DOI: 10.1021/jm300488m BindingDB Entry DOI: 10.7270/Q21J9BWN
					More data for this Ligand-Target Pair

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