Compile Data Set for Download or QSAR

Found 4 hits Enz. Inhib. hit(s) with all data for entry = 50034966   

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
GTPase HRas (Homo sapiens (Human))	BDBM50072339 (Benzodiazepine-Distamycin Hybrid | CHEMBL102341) Show SMILES COc1cc2c(cc1OCCC(=O)Nc1cc(C(=O)Nc3cc(C(=O)Nc4cc(C(=O)NCCC(N)=N)n(C)c4)n(C)c3)n(C)c1)N=C[C@@H]1CCCN1C2=O |c:50| Show InChI InChI=1S/C37H43N11O7/c1-45-19-22(13-27(45)34(50)40-9-7-32(38)39)43-36(52)29-14-23(20-47(29)3)44-35(51)28-12-21(18-46(28)2)42-33(49)8-11-55-31-16-26-25(15-30(31)54-4)37(53)48-10-5-6-24(48)17-41-26/h12-20,24H,5-11H2,1-4H3,(H3,38,39)(H,40,50)(H,42,49)(H,43,52)(H,44,51)/t24-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of Ha-ras polymerase-chain reaction product				Bioorg Med Chem Lett 8: 3019-24 (1999) Article DOI: 10.1016/S0960-894X(98)00544-7 BindingDB Entry DOI: 10.7270/Q2057GFM
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50055659 (2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...) Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1 Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of Ha-ras polymerase-chain reaction product				Bioorg Med Chem Lett 8: 3019-24 (1999) Article DOI: 10.1016/S0960-894X(98)00544-7 BindingDB Entry DOI: 10.7270/Q2057GFM
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50055659 (2N-(3,3-aminoiminopropyl)-4-[4-(4-formamido-1-meth...) Show SMILES Cn1cc(NC=O)cc1C(=O)Nc1cc(C(=O)Nc2cc(C(=O)NCCC(N)=N)n(C)c2)n(C)c1 Show InChI InChI=1S/C22H27N9O4/c1-29-9-13(26-12-32)6-17(29)21(34)28-15-8-18(31(3)11-15)22(35)27-14-7-16(30(2)10-14)20(33)25-5-4-19(23)24/h6-12H,4-5H2,1-3H3,(H3,23,24)(H,25,33)(H,26,32)(H,27,35)(H,28,34)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of Ha-ras polymerase-chain reaction product				Bioorg Med Chem Lett 8: 3019-24 (1999) Article DOI: 10.1016/S0960-894X(98)00544-7 BindingDB Entry DOI: 10.7270/Q2057GFM
					More data for this Ligand-Target Pair
GTPase HRas (Homo sapiens (Human))	BDBM50072338 (3-((S)-7-Methoxy-5-oxo-2,3,5,11a-tetrahydro-1H-ben...) Show SMILES COC(=O)CCOc1cc2N=C[C@@H]3CCCN3C(=O)c2cc1OC |c:10| Show InChI InChI=1S/C17H20N2O5/c1-22-14-8-12-13(9-15(14)24-7-5-16(20)23-2)18-10-11-4-3-6-19(11)17(12)21/h8-11H,3-7H2,1-2H3/t11-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ di Ferrara Curated by ChEMBL					Assay Description Inhibition of Ha-ras polymerase-chain reaction product				Bioorg Med Chem Lett 8: 3019-24 (1999) Article DOI: 10.1016/S0960-894X(98)00544-7 BindingDB Entry DOI: 10.7270/Q2057GFM
					More data for this Ligand-Target Pair