Compile Data Set for Download or QSAR

Found 3 hits Enz. Inhib. hit(s) with Target = 'Protease' and Ligand = 'BDBM50495680'   

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
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50495680 (CHEMBL3115093) Show SMILES Oc1cccc(CN(N2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C=O)c1 |r| Show InChI InChI=1S/C22H27N3O3/c26-17-20(14-18-8-3-1-4-9-18)23-22(28)25(24-12-5-2-6-13-24)16-19-10-7-11-21(27)15-19/h1,3-4,7-11,15,17,20,27H,2,5-6,12-14,16H2,(H,23,28)/t20-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.44E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon - ENS Curated by ChEMBL					Assay Description Inhibition of HIV-1 recombinant protease using DABCYL-GABA-Ser-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate incubated for 30 mins prior to substrate ad...				Bioorg Med Chem 21: 5407-13 (2013) Article DOI: 10.1016/j.bmc.2013.06.018 BindingDB Entry DOI: 10.7270/Q2D50QXV
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50495680 (CHEMBL3115093) Show SMILES Oc1cccc(CN(N2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C=O)c1 |r| Show InChI InChI=1S/C22H27N3O3/c26-17-20(14-18-8-3-1-4-9-18)23-22(28)25(24-12-5-2-6-13-24)16-19-10-7-11-21(27)15-19/h1,3-4,7-11,15,17,20,27H,2,5-6,12-14,16H2,(H,23,28)/t20-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.42E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon - ENS Curated by ChEMBL					Assay Description Inhibition of HIV-1 recombinant protease using DABCYL-GABA-Ser-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate incubated for 30 mins prior to substrate ad...				Bioorg Med Chem 21: 5407-13 (2013) Article DOI: 10.1016/j.bmc.2013.06.018 BindingDB Entry DOI: 10.7270/Q2D50QXV
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50495680 (CHEMBL3115093) Show SMILES Oc1cccc(CN(N2CCCCC2)C(=O)N[C@@H](Cc2ccccc2)C=O)c1 |r| Show InChI InChI=1S/C22H27N3O3/c26-17-20(14-18-8-3-1-4-9-18)23-22(28)25(24-12-5-2-6-13-24)16-19-10-7-11-21(27)15-19/h1,3-4,7-11,15,17,20,27H,2,5-6,12-14,16H2,(H,23,28)/t20-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.72E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Lyon - ENS Curated by ChEMBL					Assay Description Inhibition of HIV-1 recombinant protease using DABCYL-GABA-Ser-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as substrate incubated for 30 mins prior to substrate ad...				Bioorg Med Chem 21: 5407-13 (2013) Article DOI: 10.1016/j.bmc.2013.06.018 BindingDB Entry DOI: 10.7270/Q2D50QXV
					More data for this Ligand-Target Pair