Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with all data for entry = 50048304   

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
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50212421 (CHEMBL24813 | VUF-4648 | VUF-4649) Show SMILES CC(C)(C)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C32H40ClNO/c1-31(2,3)26-14-12-25(13-15-26)9-7-8-22-34-23-20-29(21-24-34)32(35,27-10-5-4-6-11-27)28-16-18-30(33)19-17-28/h4-6,10-19,29,35H,7-9,20-24H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	93.6	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested in vitro for inhibitory activity against Herpes Simplex Virus type 2 ribonucleotide reductase				Citation and Details BindingDB Entry DOI: 10.7270/Q29C70MX
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50017723 ((3,3-Diphenyl-propyl)-(1-methyl-2-phenyl-ethyl)-am...) Show SMILES CC(Cc1ccccc1)NCCC(c1ccccc1)c1ccccc1 Show InChI InChI=1S/C24H27N/c1-20(19-21-11-5-2-6-12-21)25-18-17-24(22-13-7-3-8-14-22)23-15-9-4-10-16-23/h2-16,20,24-25H,17-19H2,1H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	209	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested in vitro for inhibitory activity against Herpes Simplex Virus type 2 ribonucleotide reductase				Citation and Details BindingDB Entry DOI: 10.7270/Q29C70MX
					More data for this Ligand-Target Pair
Voltage-dependent L-type calcium channel subunit alpha-1S (Rattus norvegicus)	BDBM50212421 (CHEMBL24813 | VUF-4648 | VUF-4649) Show SMILES CC(C)(C)c1ccc(CCCCN2CCC(CC2)C(O)(c2ccccc2)c2ccc(Cl)cc2)cc1 Show InChI InChI=1S/C32H40ClNO/c1-31(2,3)26-14-12-25(13-15-26)9-7-8-22-34-23-20-29(21-24-34)32(35,27-10-5-4-6-11-27)28-16-18-30(33)19-17-28/h4-6,10-19,29,35H,7-9,20-24H2,1-3H3	PDB MMDB UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars		n/a	n/a	n/a	93.6	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Compound was tested in vitro for inhibitory activity against Herpes Simplex Virus type 2 ribonucleotide reductase				Citation and Details BindingDB Entry DOI: 10.7270/Q29C70MX
					More data for this Ligand-Target Pair