Compile Data Set for Download or QSAR

Found 2 hits Enz. Inhib. hit(s) with Target = 'Gag-Pol polyprotein [489-587]' and Ligand = 'BDBM50004790'   

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
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50004790 (CHEMBL384612 | Porphyrin analogue) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)c1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1)c(C)c4C(COC(=O)c1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1)c(C)c3CCC(O)=O Show InChI InChI=1S/C78H62N4O12/c1-43-59(29-31-71(83)84)65-40-66-60(30-32-72(85)86)44(2)62(80-66)38-67-74(70(94-78(90)58-28-24-50-16-8-12-20-54(50)36-58)42-92-76(88)56-26-22-48-14-6-10-18-52(48)34-56)46(4)64(82-67)39-68-73(45(3)63(81-68)37-61(43)79-65)69(93-77(89)57-27-23-49-15-7-11-19-53(49)35-57)41-91-75(87)55-25-21-47-13-5-9-17-51(47)33-55/h5-28,33-40,69-70,81-82H,29-32,41-42H2,1-4H3,(H,83,84)(H,85,86)/b61-37-,62-38-,63-37-,64-39-,65-40-,66-40-,67-38-,68-39-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in 5%DMSO				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50004790 (CHEMBL384612 | Porphyrin analogue) Show SMILES Cc1c(CCC(O)=O)c2cc3nc(cc4[nH]c(cc5[nH]c(cc1n2)c(C)c5C(COC(=O)c1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1)c(C)c4C(COC(=O)c1ccc2ccccc2c1)OC(=O)c1ccc2ccccc2c1)c(C)c3CCC(O)=O Show InChI InChI=1S/C78H62N4O12/c1-43-59(29-31-71(83)84)65-40-66-60(30-32-72(85)86)44(2)62(80-66)38-67-74(70(94-78(90)58-28-24-50-16-8-12-20-54(50)36-58)42-92-76(88)56-26-22-48-14-6-10-18-52(48)34-56)46(4)64(82-67)39-68-73(45(3)63(81-68)37-61(43)79-65)69(93-77(89)57-27-23-49-15-7-11-19-53(49)35-57)41-91-75(87)55-25-21-47-13-5-9-17-51(47)33-55/h5-28,33-40,69-70,81-82H,29-32,41-42H2,1-4H3,(H,83,84)(H,85,86)/b61-37-,62-38-,63-37-,64-39-,65-40-,66-40-,67-38-,68-39-	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of HIV-1 protease in 10% fetal calf serum(FCS)				J Med Chem 35: 3426-8 (1992) BindingDB Entry DOI: 10.7270/Q27W6CTB
					More data for this Ligand-Target Pair