Compile Data Set for Download or QSAR

Found 20 hits with Last Name = 'benatalah' and Initial = 'z'   

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
Melatonin receptor type 1C (Gallus gallus)	BDBM9019 (CHEMBL45 | Melatonin | N-[2-(5-methoxy-1H-indol-3-...) Show SMILES COc1ccc2[nH]cc(CCNC(C)=O)c2c1 Show InChI InChI=1S/C13H16N2O2/c1-9(16)14-6-5-10-8-15-13-4-3-11(17-2)7-12(10)13/h3-4,7-8,15H,5-6H2,1-2H3,(H,14,16)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	0.460	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50470867 (CHEMBL318179) Show SMILES COc1ccc2ccc(OC)c3CC(Cc1c23)NC(C)=O Show InChI InChI=1S/C17H19NO3/c1-10(19)18-12-8-13-15(20-2)6-4-11-5-7-16(21-3)14(9-12)17(11)13/h4-7,12H,8-9H2,1-3H3,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.700	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50470869 (CHEMBL12477) Show SMILES CCC(=O)NC1Cc2cccc3ccc(OC)c(C1)c23 Show InChI InChI=1S/C17H19NO2/c1-3-16(19)18-13-9-12-6-4-5-11-7-8-15(20-2)14(10-13)17(11)12/h4-8,13H,3,9-10H2,1-2H3,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50470868 (CHEMBL12795) Show SMILES COc1ccc2cccc3CC(Cc1c23)NC(C)=O Show InChI InChI=1S/C16H17NO2/c1-10(18)17-13-8-12-5-3-4-11-6-7-15(19-2)14(9-13)16(11)12/h3-7,13H,8-9H2,1-2H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50470866 (CHEMBL320810) Show SMILES CC(=O)NC1Cc2cccc3cccc(C1)c23 Show InChI InChI=1S/C15H15NO/c1-10(17)16-14-8-12-6-2-4-11-5-3-7-13(9-14)15(11)12/h2-7,14H,8-9H2,1H3,(H,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	29	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description Binding affinity towards melatonin receptor				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50470871 (CHEMBL106276) Show SMILES COc1ccc2ccc(O)c3CC(Cc1c23)NC(C)=O Show InChI InChI=1S/C16H17NO3/c1-9(18)17-11-7-12-14(19)5-3-10-4-6-15(20-2)13(8-11)16(10)12/h3-6,11,19H,7-8H2,1-2H3,(H,17,18)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50035176 (8-M-ADOT | CHEMBL53015 | N-(8-Methoxy-1,2,3,4-tetr...) Show SMILES COc1cccc2CCC(Cc12)NC(C)=O Show InChI InChI=1S/C13H17NO2/c1-9(15)14-11-7-6-10-4-3-5-13(16-2)12(10)8-11/h3-5,11H,6-8H2,1-2H3,(H,14,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	161	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50470870 (CHEMBL104997) Show SMILES COc1cc2ccccc2c2CCC(Cc12)NC(C)=O Show InChI InChI=1S/C17H19NO2/c1-11(19)18-13-7-8-15-14-6-4-3-5-12(14)9-17(20-2)16(15)10-13/h3-6,9,13H,7-8,10H2,1-2H3,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	168	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50470866 (CHEMBL320810) Show SMILES CC(=O)NC1Cc2cccc3cccc(C1)c23 Show InChI InChI=1S/C15H15NO/c1-10(17)16-14-8-12-6-2-4-11-5-3-7-13(9-14)15(11)12/h2-7,14H,8-9H2,1H3,(H,16,17)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	195	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM50470865 (CHEMBL317669) Show SMILES COc1c2CC(CCc2cc2ccccc12)NC(C)=O Show InChI InChI=1S/C17H19NO2/c1-11(19)18-14-8-7-13-9-12-5-3-4-6-15(12)17(20-2)16(13)10-14/h3-6,9,14H,7-8,10H2,1-2H3,(H,18,19)	UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	273	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Melatonin receptor type 1C (Gallus gallus)	BDBM29612 (CHEMBL33103 | CVD-0001578 | JOH-MSK-a63bdd1d-4 | N...) Show SMILES CC(=O)NCCc1c[nH]c2ccc(O)cc12 Show InChI InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)	UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	1.64E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CNRS-BIOCIS Curated by ChEMBL					Assay Description In vitro binding affinity against melatonin receptor using 2-[125I]iodomelatonin (0.05 nM) and chicken brain membranes				J Med Chem 39: 3089-95 (1996) Article DOI: 10.1021/jm960219h BindingDB Entry DOI: 10.7270/Q2736TNJ
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50074687 (2-[2-(2-{4-[7-(3-{1-[1-(1-Methoxycarbonyl-2-methyl...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C52H82N6O12/c1-29(2)25-39(47(61)57-45(33(9)10)51(65)67-13)53-49(63)43(31(5)6)55-41(59)17-15-23-69-37-21-19-35-20-22-38(28-36(35)27-37)70-24-16-18-42(60)56-44(32(7)8)50(64)54-40(26-30(3)4)48(62)58-46(34(11)12)52(66)68-14/h19-22,27-34,39-40,43-46H,15-18,23-26H2,1-14H3,(H,53,63)(H,54,64)(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t39-,40-,43-,44-,45-,46-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-sud Curated by ChEMBL					Assay Description The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.				J Med Chem 42: 957-62 (1999) Article DOI: 10.1021/jm9803976 BindingDB Entry DOI: 10.7270/Q2DJ5DTG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50074689 (2-[2-(2-{4-[6-(3-{1-[1-(1-Methoxycarbonyl-2-methyl...) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1cccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)n1)C(C)C)C(C)C Show InChI InChI=1S/C47H79N7O12/c1-26(2)24-32(42(57)53-40(30(9)10)46(61)63-13)48-44(59)38(28(5)6)50-34(55)18-16-22-65-36-20-15-21-37(52-36)66-23-17-19-35(56)51-39(29(7)8)45(60)49-33(25-27(3)4)43(58)54-41(31(11)12)47(62)64-14/h15,20-21,26-33,38-41H,16-19,22-25H2,1-14H3,(H,48,59)(H,49,60)(H,50,55)(H,51,56)(H,53,57)(H,54,58)/t32-,33-,38-,39-,40-,41-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-sud Curated by ChEMBL					Assay Description The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.				J Med Chem 42: 957-62 (1999) Article DOI: 10.1021/jm9803976 BindingDB Entry DOI: 10.7270/Q2DJ5DTG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50074688 (2-[2-(3-Hydroxy-2-{4-[6-(3-{2-hydroxy-1-[1-(1-meth...) Show SMILES CC[C@@H](C)[C@H](NC(=O)[C@@H](NC(=O)CCCOc1cccc(OCCCC(=O)N[C@@H](C(C)O)C(=O)N[C@@H]([C@H](C)CC)C(=O)N[C@@H](C(C)C)C(=O)OC)n1)C(C)O)C(=O)N[C@@H](C(C)C)C(=O)OC Show InChI InChI=1S/C45H75N7O14/c1-13-26(7)36(40(57)49-34(24(3)4)44(61)63-11)51-42(59)38(28(9)53)46-30(55)18-16-22-65-32-20-15-21-33(48-32)66-23-17-19-31(56)47-39(29(10)54)43(60)52-37(27(8)14-2)41(58)50-35(25(5)6)45(62)64-12/h15,20-21,24-29,34-39,53-54H,13-14,16-19,22-23H2,1-12H3,(H,46,55)(H,47,56)(H,49,57)(H,50,58)(H,51,59)(H,52,60)/t26-,27-,28?,29?,34+,35+,36+,37+,38+,39+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-sud Curated by ChEMBL					Assay Description The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.				J Med Chem 42: 957-62 (1999) Article DOI: 10.1021/jm9803976 BindingDB Entry DOI: 10.7270/Q2DJ5DTG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50074686 (4-[7,2-bis{(4-Oxo-butoxy)-thr-leu-asp-phe-OMe]-nap...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc3ccccc3)C(=O)OC)cc2c1)C(C)O Show InChI InChI=1S/C66H90N10O18/c1-37(2)29-47(59(83)69-49(35-53(67)79)61(85)73-51(65(89)91-7)31-41-17-11-9-12-18-41)71-63(87)57(39(5)77)75-55(81)21-15-27-93-45-25-23-43-24-26-46(34-44(43)33-45)94-28-16-22-56(82)76-58(40(6)78)64(88)72-48(30-38(3)4)60(84)70-50(36-54(68)80)62(86)74-52(66(90)92-8)32-42-19-13-10-14-20-42/h9-14,17-20,23-26,33-34,37-40,47-52,57-58,77-78H,15-16,21-22,27-32,35-36H2,1-8H3,(H2,67,79)(H2,68,80)(H,69,83)(H,70,84)(H,71,87)(H,72,88)(H,73,85)(H,74,86)(H,75,81)(H,76,82)/t39?,40?,47-,48-,49-,50-,51-,52-,57-,58-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.40E+3	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-sud Curated by ChEMBL					Assay Description The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.				J Med Chem 42: 957-62 (1999) Article DOI: 10.1021/jm9803976 BindingDB Entry DOI: 10.7270/Q2DJ5DTG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50074684 (CHEMBL442133 | [7,2-bis{(4-Oxo-butoxy)-thr-leu-asp...) Show SMILES COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1cccc(OCCCC(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)OC)n1)C(C)O Show InChI InChI=1S/C61H87N11O18/c1-34(2)28-40(54(79)64-42(32-46(62)75)56(81)68-44(60(85)87-7)30-38-18-11-9-12-19-38)66-58(83)52(36(5)73)70-48(77)22-16-26-89-50-24-15-25-51(72-50)90-27-17-23-49(78)71-53(37(6)74)59(84)67-41(29-35(3)4)55(80)65-43(33-47(63)76)57(82)69-45(61(86)88-8)31-39-20-13-10-14-21-39/h9-15,18-21,24-25,34-37,40-45,52-53,73-74H,16-17,22-23,26-33H2,1-8H3,(H2,62,75)(H2,63,76)(H,64,79)(H,65,80)(H,66,83)(H,67,84)(H,68,81)(H,69,82)(H,70,77)(H,71,78)/t36?,37?,40-,41-,42-,43-,44-,45-,52-,53-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-sud Curated by ChEMBL					Assay Description The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.				J Med Chem 42: 957-62 (1999) Article DOI: 10.1021/jm9803976 BindingDB Entry DOI: 10.7270/Q2DJ5DTG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50074682 ((S)-2-[(S)-2-((S)-2-{4-[7-(3-{(S)-1-[(S)-1-((S)-1-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O)cc2c1)C(C)O)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C48H74N6O14/c1-25(2)21-35(43(59)53-39(27(5)6)47(63)64)49-45(61)41(29(9)55)51-37(57)13-11-19-67-33-17-15-31-16-18-34(24-32(31)23-33)68-20-12-14-38(58)52-42(30(10)56)46(62)50-36(22-26(3)4)44(60)54-40(28(7)8)48(65)66/h15-18,23-30,35-36,39-42,55-56H,11-14,19-22H2,1-10H3,(H,49,61)(H,50,62)(H,51,57)(H,52,58)(H,53,59)(H,54,60)(H,63,64)(H,65,66)/t29?,30?,35-,36-,39-,40-,41-,42-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-sud Curated by ChEMBL					Assay Description The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.				J Med Chem 42: 957-62 (1999) Article DOI: 10.1021/jm9803976 BindingDB Entry DOI: 10.7270/Q2DJ5DTG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50074683 ((S)-2-{(S)-2-[(S)-2-((S)-3-Hydroxy-2-{4-[7-(3-meth...) Show SMILES COC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2c1 Show InChI InChI=1S/C40H60N4O11/c1-23(2)20-31(37(48)43-34(24(3)4)38(49)44-35(25(5)6)40(51)53-9)41-39(50)36(26(7)45)42-32(46)12-10-18-54-29-16-14-27-15-17-30(22-28(27)21-29)55-19-11-13-33(47)52-8/h14-17,21-26,31,34-36,45H,10-13,18-20H2,1-9H3,(H,41,50)(H,42,46)(H,43,48)(H,44,49)/t26?,31-,34-,35-,36-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-sud Curated by ChEMBL					Assay Description The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.				J Med Chem 42: 957-62 (1999) Article DOI: 10.1021/jm9803976 BindingDB Entry DOI: 10.7270/Q2DJ5DTG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50074685 ((S)-2-{(S)-2-[2-(4-{6-[3-({[(S)-1-((S)-1-Methoxyca...) Show SMILES COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CCCOc1cccc(OCCCC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)OC)n1 Show InChI InChI=1S/C43H71N7O12/c1-26(2)20-30(40(55)48-32(22-28(5)6)42(57)59-9)46-36(53)24-44-34(51)14-12-18-61-38-16-11-17-39(50-38)62-19-13-15-35(52)45-25-37(54)47-31(21-27(3)4)41(56)49-33(23-29(7)8)43(58)60-10/h11,16-17,26-33H,12-15,18-25H2,1-10H3,(H,44,51)(H,45,52)(H,46,53)(H,47,54)(H,48,55)(H,49,56)/t30-,31-,32-,33-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-sud Curated by ChEMBL					Assay Description The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.				J Med Chem 42: 957-62 (1999) Article DOI: 10.1021/jm9803976 BindingDB Entry DOI: 10.7270/Q2DJ5DTG
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50074690 ((S)-2-[(S)-2-((S)-2-{4-[6-(3-{(S)-1-[(S)-1-((S)-1-...) Show SMILES CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CCCOc1cccc(OCCCC(=O)N[C@@H](C(C)O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(O)=O)n1)C(C)O)C(=O)N[C@@H](C(C)C)C(O)=O Show InChI InChI=1S/C43H71N7O14/c1-22(2)20-28(38(55)49-34(24(5)6)42(59)60)44-40(57)36(26(9)51)46-30(53)14-12-18-63-32-16-11-17-33(48-32)64-19-13-15-31(54)47-37(27(10)52)41(58)45-29(21-23(3)4)39(56)50-35(25(7)8)43(61)62/h11,16-17,22-29,34-37,51-52H,12-15,18-21H2,1-10H3,(H,44,57)(H,45,58)(H,46,53)(H,47,54)(H,49,55)(H,50,56)(H,59,60)(H,61,62)/t26?,27?,28-,29-,34-,35-,36-,37-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-sud Curated by ChEMBL					Assay Description The compound was tested for HIV-1 protease inhibitory activity against plasmid pET9c-PR expressing HIV-1 protease.				J Med Chem 42: 957-62 (1999) Article DOI: 10.1021/jm9803976 BindingDB Entry DOI: 10.7270/Q2DJ5DTG
					More data for this Ligand-Target Pair