Compile Data Set for Download or QSAR

Found 93 hits with Last Name = 'ambrus-aikelin' and Initial = 'g'   

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
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyhypusine synthase (Homo sapiens)	BDBM50612294 (CHEMBL5281395) Show SMILES CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)-c1cccnc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	9.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyhypusine synthase (Homo sapiens)	BDBM50612293 (CHEMBL5265996) Show SMILES CC(C)(C)[C@H](CN)N1CCc2c(csc2C1=O)-c1cccnc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612290 (CHEMBL5288132) Show SMILES NC[C@@H](C1CCCCC1)N1CCc2c(csc2C1=O)-c1cccnc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607512 (CHEMBL5218811) Show SMILES COC1CN(C1)[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607511 (CHEMBL5220779) Show SMILES CN(C)[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612285 (CHEMBL5269564) Show SMILES NC[C@H](N1CCc2c(csc2C1=O)-c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyhypusine synthase (Homo sapiens)	BDBM50612287 (CHEMBL5274333) Show SMILES NCC(N1CCc2c(csc2C1=O)-c1cccnc1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyhypusine synthase (Homo sapiens)	BDBM50612292 (CHEMBL5268272) Show SMILES CCCC(CN)N1CCc2c(csc2C1=O)-c1cccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	26	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50155926 (CHEMBL3183703) Show SMILES CC(C)(O)c1coc(c1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI InChI=1S/C20H24N2O5S/c1-20(2,24)14-10-17(27-11-14)28(25,26)22-19(23)21-18-15-7-3-5-12(15)9-13-6-4-8-16(13)18/h9-11,24H,3-8H2,1-2H3,(H2,21,22,23)	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyhypusine synthase (Homo sapiens)	BDBM50612295 (CHEMBL5267547) Show SMILES NCC(N1CCc2c(csc2C1=O)-c1cccnc1)c1csc2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	29	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612291 (CHEMBL5278471) Show SMILES CCCCCCC(CN)N1CCc2c(csc2C1=O)-c1cccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	30	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	51	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyhypusine synthase (Homo sapiens)	BDBM50514710 (CHEMBL4555677) Show SMILES Brc1ccc2cc(sc2c1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyhypusine synthase (Homo sapiens)	BDBM50514710 (CHEMBL4555677) Show SMILES Brc1ccc2cc(sc2c1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H11BrN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	62	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabel...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979 BindingDB Entry DOI: 10.7270/Q2K35Z1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607506 (CHEMBL5219660) Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)c1cnn2CCCOc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	63	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612294 (CHEMBL5281395) Show SMILES CC(C)C[C@H](CN)N1CCc2c(csc2C1=O)-c1cccnc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	69	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607503 (CHEMBL5220378) Show SMILES CC(C)n1cc(cn1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	86	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50514715 (CHEMBL4543218) Show SMILES Ic1ccc2cc(sc2c1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H11IN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	92	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabel...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979 BindingDB Entry DOI: 10.7270/Q2K35Z1V
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Mus musculus)	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612289 (CHEMBL5282634) Show SMILES NCC(N1CCc2c(csc2C1=O)-c1cccnc1)c1c[nH]c2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	110	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50514717 (CHEMBL4462702) Show SMILES Clc1ccc2cc(sc2c1)C(=O)Nc1cccc2[nH]ccc12 Show InChI InChI=1S/C17H11ClN2OS/c18-11-5-4-10-8-16(22-15(10)9-11)17(21)20-14-3-1-2-13-12(14)6-7-19-13/h1-9,19H,(H,20,21)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabel...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979 BindingDB Entry DOI: 10.7270/Q2K35Z1V
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50216786 (CHEMBL229457 | N-(7-Amino-heptyl)-guanidine | N-gu...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C8H20N4/c9-6-4-2-1-3-5-7-12-8(10)11/h1-7,9H2,(H4,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	140	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabel...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979 BindingDB Entry DOI: 10.7270/Q2K35Z1V
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612288 (CHEMBL5281552) Show SMILES OCC(N1CCc2c(csc2C1=O)-c1cccnc1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612286 (CHEMBL5287156) Show SMILES NC[C@@H](N1CCc2c(csc2C1=O)-c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	160	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612290 (CHEMBL5288132) Show SMILES NC[C@@H](C1CCCCC1)N1CCc2c(csc2C1=O)-c1cccnc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	170	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607502 (CHEMBL5218858) Show SMILES Cn1cc(cn1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612293 (CHEMBL5265996) Show SMILES CC(C)(C)[C@H](CN)N1CCc2c(csc2C1=O)-c1cccnc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	290	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607501 (CHEMBL5220708) Show SMILES Cn1ccc(n1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	340	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	380	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	400	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607505 (CHEMBL5219182) Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)c1cnn2CCCCc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612285 (CHEMBL5269564) Show SMILES NC[C@H](N1CCc2c(csc2C1=O)-c1cccnc1)c1ccccc1 |r| Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB	n/a	n/a	410	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair				3D Structure (crystal)
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607507 (CHEMBL5220239) Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)c1cnn2cccnc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607498 (CHEMBL5219688) Show SMILES Cc1ncc(s1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50514706 (CHEMBL4442298) Show SMILES O=C(Nc1cccc2[nH]ccc12)c1cc2ccc(cc2s1)C#N Show InChI InChI=1S/C18H11N3OS/c19-10-11-4-5-12-9-17(23-16(12)8-11)18(22)21-15-3-1-2-14-13(15)6-7-20-14/h1-9,20H,(H,21,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	430	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction in radiolabel...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979 BindingDB Entry DOI: 10.7270/Q2K35Z1V
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612284 (CHEMBL5283409) Show SMILES NCCC(N1CCc2c(csc2C1=O)-c1cccnc1)c1ccccc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607497 (CHEMBL4802424) Show SMILES O=C(Nc1c2CCCc2cc2CCCc12)NS(=O)(=O)c1ccco1 Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	440	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair
NACHT, LRR and PYD domains-containing protein 3 (Homo sapiens (Human))	BDBM50607509 (CHEMBL5219789) Show SMILES CN[C@@H]1COc2c(cnn2C1)S(=O)(=O)NC(=O)Nc1c2CCCc2cc2CCCc12 |r| Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	PDB Article PubMed	n/a	n/a	490	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details Article DOI: 10.1021/acs.jmedchem.2c01250 BindingDB Entry DOI: 10.7270/Q2WD44PZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Deoxyhypusine synthase (Homo sapiens)	BDBM50216786 (CHEMBL229457 | N-(7-Amino-heptyl)-guanidine | N-gu...) Show SMILES [#7]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7] Show InChI InChI=1S/C8H20N4/c9-6-4-2-1-3-5-7-12-8(10)11/h1-7,9H2,(H4,10,11,12)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	500	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Co., Ltd Curated by ChEMBL					Assay Description Competitive inhibition of human N-terminal His6-tagged TEV protease site linked DHPS expressed in Escherichia coli BL21 (DE3) assessed as reduction i...				J Med Chem 63: 3215-3226 (2020) Article DOI: 10.1021/acs.jmedchem.9b01979 BindingDB Entry DOI: 10.7270/Q2K35Z1V
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612291 (CHEMBL5278471) Show SMILES CCCCCCC(CN)N1CCc2c(csc2C1=O)-c1cccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	580	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612295 (CHEMBL5267547) Show SMILES NCC(N1CCc2c(csc2C1=O)-c1cccnc1)c1csc2ccccc12 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Deoxyhypusine synthase (Homo sapiens)	BDBM50612292 (CHEMBL5268272) Show SMILES CCCC(CN)N1CCc2c(csc2C1=O)-c1cccnc1 Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	790	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair

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