Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Nonstructural protein 5A' and Ligand = 'BDBM50514775'   

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
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514775 (CHEMBL4446161) Show SMILES CN(C)[C@@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](N(C)C)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H48N8O2/c1-51(2)41(29-13-7-5-8-14-29)45(55)53-23-11-17-39(53)43-47-27-37(49-43)31-19-21-33-35(25-31)34-22-20-32(26-36(33)34)38-28-48-44(50-38)40-18-12-24-54(40)46(56)42(52(3)4)30-15-9-6-10-16-30/h5-10,13-16,19-22,25-28,39-42H,11-12,17-18,23-24H2,1-4H3,(H,47,49)(H,48,50)/t39-,40-,41+,42+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.248	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1a infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514775 (CHEMBL4446161) Show SMILES CN(C)[C@@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](N(C)C)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H48N8O2/c1-51(2)41(29-13-7-5-8-14-29)45(55)53-23-11-17-39(53)43-47-27-37(49-43)31-19-21-33-35(25-31)34-22-20-32(26-36(33)34)38-28-48-44(50-38)40-18-12-24-54(40)46(56)42(52(3)4)30-15-9-6-10-16-30/h5-10,13-16,19-22,25-28,39-42H,11-12,17-18,23-24H2,1-4H3,(H,47,49)(H,48,50)/t39-,40-,41+,42+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.327	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 2a con infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair
Nonstructural protein 5A (Hepatitis C virus)	BDBM50514775 (CHEMBL4446161) Show SMILES CN(C)[C@@H](C(=O)N1CCC[C@H]1c1ncc([nH]1)-c1ccc-2c(c1)-c1ccc(cc-21)-c1cnc([nH]1)[C@@H]1CCCN1C(=O)[C@H](N(C)C)c1ccccc1)c1ccccc1 |r| Show InChI InChI=1S/C46H48N8O2/c1-51(2)41(29-13-7-5-8-14-29)45(55)53-23-11-17-39(53)43-47-27-37(49-43)31-19-21-33-35(25-31)34-22-20-32(26-36(33)34)38-28-48-44(50-38)40-18-12-24-54(40)46(56)42(52(3)4)30-15-9-6-10-16-30/h5-10,13-16,19-22,25-28,39-42H,11-12,17-18,23-24H2,1-4H3,(H,47,49)(H,48,50)/t39-,40-,41+,42+/m0/s1	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0810	n/a	n/a	n/a	n/a
GlaxoSmithKline Curated by ChEMBL					Assay Description Inhibition of NS5A in HCV genotype 1b infected in HuH-Lcu-Neo cells assessed as reduction in viral replication incubated for 48 hrs by luciferase rep...				J Med Chem 63: 4155-4170 (2020) Article DOI: 10.1021/acs.jmedchem.9b02176 BindingDB Entry DOI: 10.7270/Q2222Z42
					More data for this Ligand-Target Pair