Compile Data Set for Download or QSAR

Found 7 hits Enz. Inhib. hit(s) with all data for entry = 50004336   

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
Geranylgeranyl transferase type-1 subunit beta (Rattus norvegicus)	BDBM50481906 (CHEMBL1075839) Show SMILES OC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)c1coc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C46H40N6O6/c53-41(28-47-42(54)40-30-58-44(51-40)33-18-8-2-9-19-33)49-38(26-32-16-6-1-7-17-32)43(55)50-39(45(56)57)27-37-29-52(31-48-37)46(34-20-10-3-11-21-34,35-22-12-4-13-23-35)36-24-14-5-15-25-36/h1-25,29-31,38-39H,26-28H2,(H,47,54)(H,49,53)(H,50,55)(H,56,57)/t38-,39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	3.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of rat recombinant GGTase-1 by SDS-PAGE end point assay				J Med Chem 52: 8025-37 (2009) Article DOI: 10.1021/jm901117d BindingDB Entry DOI: 10.7270/Q25X2CS3
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta (Rattus norvegicus)	BDBM50481911 (CHEMBL1075809) Show SMILES OC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)CNC(=O)[C@H](Cc1c[nH]cn1)NC(=O)c1coc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C43H38N8O6/c52-38(24-45-39(53)35(21-33-23-44-27-46-33)49-40(54)37-26-57-41(50-37)29-13-5-1-6-14-29)48-36(42(55)56)22-34-25-51(28-47-34)43(30-15-7-2-8-16-30,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20,23,25-28,35-36H,21-22,24H2,(H,44,46)(H,45,53)(H,48,52)(H,49,54)(H,55,56)/t35-,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of rat recombinant GGTase-1 by SDS-PAGE end point assay				J Med Chem 52: 8025-37 (2009) Article DOI: 10.1021/jm901117d BindingDB Entry DOI: 10.7270/Q25X2CS3
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta (Rattus norvegicus)	BDBM50481907 (CHEMBL1075810) Show SMILES OC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@H](Cc1cn(cn1)C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(=O)c1coc(n1)-c1ccccc1 |r| Show InChI InChI=1S/C43H38N8O6/c52-38(48-36(42(55)56)21-33-23-44-27-46-33)24-45-39(53)35(49-40(54)37-26-57-41(50-37)29-13-5-1-6-14-29)22-34-25-51(28-47-34)43(30-15-7-2-8-16-30,31-17-9-3-10-18-31)32-19-11-4-12-20-32/h1-20,23,25-28,35-36H,21-22,24H2,(H,44,46)(H,45,53)(H,48,52)(H,49,54)(H,55,56)/t35-,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of rat recombinant GGTase-1 by SDS-PAGE end point assay				J Med Chem 52: 8025-37 (2009) Article DOI: 10.1021/jm901117d BindingDB Entry DOI: 10.7270/Q25X2CS3
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta (Rattus norvegicus)	BDBM50481909 (CHEMBL1075863) Show SMILES CCCCCCCCCCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)CCc1ccccn1 |r| Show InChI InChI=1S/C40H55N9O5/c1-3-4-5-6-7-8-9-10-14-37(51)46-34(23-31-25-41-27-44-31)38(52)47-35(24-32-26-42-28-45-32)39(53)48-36(22-29-15-17-33(50)18-16-29)40(54)49(2)21-19-30-13-11-12-20-43-30/h11-13,15-18,20,25-28,34-36,50H,3-10,14,19,21-24H2,1-2H3,(H,41,44)(H,42,45)(H,46,51)(H,47,52)(H,48,53)/t34-,35-,36-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	3.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of rat recombinant GGTase-1 by SDS-PAGE end point assay				J Med Chem 52: 8025-37 (2009) Article DOI: 10.1021/jm901117d BindingDB Entry DOI: 10.7270/Q25X2CS3
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta (Rattus norvegicus)	BDBM50481908 (CHEMBL1075861) Show SMILES CCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CN(C)CCc1ccccn1)Cc1ccc(O)cc1 |r| Show InChI InChI=1S/C40H53N7O4/c1-3-4-5-6-10-16-38(49)45-37(26-33-27-41-29-43-33)40(51)46-36(25-30-13-8-7-9-14-30)39(50)44-34(24-31-17-19-35(48)20-18-31)28-47(2)23-21-32-15-11-12-22-42-32/h7-9,11-15,17-20,22,27,29,34,36-37,48H,3-6,10,16,21,23-26,28H2,1-2H3,(H,41,43)(H,44,50)(H,45,49)(H,46,51)/t34-,36-,37-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	9.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of rat recombinant GGTase-1 by SDS-PAGE end point assay				J Med Chem 52: 8025-37 (2009) Article DOI: 10.1021/jm901117d BindingDB Entry DOI: 10.7270/Q25X2CS3
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta (Rattus norvegicus)	BDBM50481910 (CHEMBL1075859) Show SMILES CCCCCCCCCCC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)CCc1ccccn1 |r| Show InChI InChI=1S/C43H57N7O5/c1-3-4-5-6-7-8-9-13-19-40(52)47-38(29-35-30-44-31-46-35)42(54)48-37(27-32-16-11-10-12-17-32)41(53)49-39(28-33-20-22-36(51)23-21-33)43(55)50(2)26-24-34-18-14-15-25-45-34/h10-12,14-18,20-23,25,30-31,37-39,51H,3-9,13,19,24,26-29H2,1-2H3,(H,44,46)(H,47,52)(H,48,54)(H,49,53)/t37-,38-,39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of rat recombinant GGTase-1 by SDS-PAGE end point assay				J Med Chem 52: 8025-37 (2009) Article DOI: 10.1021/jm901117d BindingDB Entry DOI: 10.7270/Q25X2CS3
					More data for this Ligand-Target Pair
Geranylgeranyl transferase type-1 subunit beta (Rattus norvegicus)	BDBM50481912 (CHEMBL1075865) Show SMILES CCCCCCCCCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N(C)CCc1ccccn1 |r| Show InChI InChI=1S/C43H57N7O6/c1-3-4-5-6-7-8-9-10-14-40(53)47-37(26-31-15-19-35(51)20-16-31)41(54)48-38(28-34-29-44-30-46-34)42(55)49-39(27-32-17-21-36(52)22-18-32)43(56)50(2)25-23-33-13-11-12-24-45-33/h11-13,15-22,24,29-30,37-39,51-52H,3-10,14,23,25-28H2,1-2H3,(H,44,46)(H,47,53)(H,48,54)(H,49,55)/t37-,38-,39-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Max Planck Institute of Molecular Physiology Curated by ChEMBL					Assay Description Inhibition of rat recombinant GGTase-1 by SDS-PAGE end point assay				J Med Chem 52: 8025-37 (2009) Article DOI: 10.1021/jm901117d BindingDB Entry DOI: 10.7270/Q25X2CS3
					More data for this Ligand-Target Pair