Compile Data Set for Download or QSAR

Found 73 hits with Last Name = 'romeo' and Initial = 's'   

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
Estrogen receptor beta (Homo sapiens (Human))	BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	0.190	-54.9	n/a	n/a	0.660	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin II (Plasmodium falciparum)	BDBM50323737 (CHEMBL1213687 | N-((2S)-1-((2S)-6-amino-1-(4-(6-me...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)[C@@H](C)CC |r| Show InChI InChI=1S/C59H87N9O9/c1-10-12-29-61-52(70)36-51(69)48(32-37(3)4)66-59(75)53(39(7)11-2)68-56(72)42-22-26-45(27-23-42)77-44-24-20-41(21-25-44)55(71)67-50(33-38(5)6)58(74)65-47(19-13-14-28-60)57(73)63-31-15-17-40(8)64-49-35-46(76-9)34-43-18-16-30-62-54(43)49/h16,18,20-27,30,34-35,37-40,47-48,50-51,53,64,69H,10-15,17,19,28-29,31-33,36,60H2,1-9H3,(H,61,70)(H,63,73)(H,65,74)(H,66,75)(H,67,71)(H,68,72)/t39-,40?,47-,48-,50-,51-,53-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PLM2 using Lys-Glu-Phe-Val-Phe-NPhe-Ala-Leu-Lys as substrate by spectrophotometry				Bioorg Med Chem Lett 22: 5915-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.069 BindingDB Entry DOI: 10.7270/Q2M046HX
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50228078 ((S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethy...) Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F Show InChI InChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.494	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human mineralocorticoid receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50200018 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C53H74N8O9/c1-10-12-25-54-46(63)31-45(62)43(28-32(3)4)60-53(68)47(33(5)11-2)61-52(67)38-19-23-41(24-20-38)70-40-21-17-37(18-22-40)51(66)59-36(8)50(65)58-35(7)49(64)56-27-13-15-34(6)57-44-30-42(69-9)29-39-16-14-26-55-48(39)44/h14,16-24,26,29-30,32-36,43,45,47,57,62H,10-13,15,25,27-28,31H2,1-9H3,(H,54,63)(H,56,64)(H,58,65)(H,59,66)(H,60,68)(H,61,67)/t33?,34?,35-,36-,43-,45-,47-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM1				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50390636 (CHEMBL2069615) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)NCc2ccccc2)cc1)[C@@H](C)CC |r| Show InChI InChI=1S/C39H52N4O6/c1-6-8-22-40-35(45)24-34(44)33(23-26(3)4)42-39(48)36(27(5)7-2)43-38(47)30-16-20-32(21-17-30)49-31-18-14-29(15-19-31)37(46)41-25-28-12-10-9-11-13-28/h9-21,26-27,33-34,36,44H,6-8,22-25H2,1-5H3,(H,40,45)(H,41,46)(H,42,48)(H,43,47)/t27-,33-,34-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PLM2 using Lys-Glu-Phe-Val-Phe-NPhe-Ala-Leu-Lys as substrate by spectrophotometry				Bioorg Med Chem Lett 22: 5915-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.069 BindingDB Entry DOI: 10.7270/Q2M046HX
					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM19969 ((2S,6R,7S)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC[C@@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	1.54	-49.8	n/a	n/a	3.61	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50228079 ((R)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1...) Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	1.56	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human mineralocorticoid receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50390637 (CHEMBL2069616) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)OCc2ccccc2)cc1)[C@@H](C)CC |r| Show InChI InChI=1S/C39H51N3O7/c1-6-8-22-40-35(44)24-34(43)33(23-26(3)4)41-38(46)36(27(5)7-2)42-37(45)29-14-18-31(19-15-29)49-32-20-16-30(17-21-32)39(47)48-25-28-12-10-9-11-13-28/h9-21,26-27,33-34,36,43H,6-8,22-25H2,1-5H3,(H,40,44)(H,41,46)(H,42,45)/t27-,33-,34-,36-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PLM2 using Lys-Glu-Phe-Val-Phe-NPhe-Ala-Leu-Lys as substrate by spectrophotometry				Bioorg Med Chem Lett 22: 5915-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.069 BindingDB Entry DOI: 10.7270/Q2M046HX
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50228076 ((R)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethy...) Show SMILES C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F Show InChI InChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human mineralocorticoid receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50390633 (CHEMBL2069612) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1)[C@@H](C)CC |r| Show InChI InChI=1S/C44H57ClN6O6/c1-6-8-21-48-40(53)27-39(52)38(25-28(3)4)50-44(56)41(29(5)7-2)51-43(55)31-12-17-34(18-13-31)57-33-15-10-30(11-16-33)42(54)49-23-9-22-46-36-20-24-47-37-26-32(45)14-19-35(36)37/h10-20,24,26,28-29,38-39,41,52H,6-9,21-23,25,27H2,1-5H3,(H,46,47)(H,48,53)(H,49,54)(H,50,56)(H,51,55)/t29-,38-,39-,41-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PLM2 using Lys-Glu-Phe-Val-Phe-NPhe-Ala-Leu-Lys as substrate by spectrophotometry				Bioorg Med Chem Lett 22: 5915-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.069 BindingDB Entry DOI: 10.7270/Q2M046HX
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50228080 (2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...) Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6| Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank MMDB PDB Article PubMed	2.32	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human mineralocorticoid receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin II (Plasmodium falciparum)	BDBM50390635 (CHEMBL2069614) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCCCNc2ccnc3ccccc23)cc1)[C@@H](C)CC |r| Show InChI InChI=1S/C53H74N8O8/c1-9-11-26-56-47(63)32-46(62)44(30-33(3)4)59-53(68)48(35(7)10-2)61-51(66)38-19-23-40(24-20-38)69-39-21-17-37(18-22-39)50(65)60-45(31-34(5)6)52(67)58-36(8)49(64)57-28-14-27-54-43-25-29-55-42-16-13-12-15-41(42)43/h12-13,15-25,29,33-36,44-46,48,62H,9-11,14,26-28,30-32H2,1-8H3,(H,54,55)(H,56,63)(H,57,64)(H,58,67)(H,59,68)(H,60,65)(H,61,66)/t35-,36-,44-,45-,46-,48-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.60	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PLM2 using Lys-Glu-Phe-Val-Phe-NPhe-Ala-Leu-Lys as substrate by spectrophotometry				Bioorg Med Chem Lett 22: 5915-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.069 BindingDB Entry DOI: 10.7270/Q2M046HX
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19968 ((2R,6S,7R)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@@H]1Oc2ccc(O)cc2[C@@H]2CCC[C@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase DrugBank MCE MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	2.68	-48.4	n/a	n/a	19.4	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV
					More data for this Ligand-Target Pair				3D Structure (crystal)
Plasmepsin II (Plasmodium falciparum)	BDBM50390634 (CHEMBL2069613) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](C)C(=O)NCCCNc2ccnc3cc(Cl)ccc23)cc1)[C@@H](C)CC |r| Show InChI InChI=1S/C47H62ClN7O7/c1-7-9-22-51-42(57)28-41(56)40(26-29(3)4)54-47(61)43(30(5)8-2)55-46(60)33-13-18-36(19-14-33)62-35-16-11-32(12-17-35)45(59)53-31(6)44(58)52-24-10-23-49-38-21-25-50-39-27-34(48)15-20-37(38)39/h11-21,25,27,29-31,40-41,43,56H,7-10,22-24,26,28H2,1-6H3,(H,49,50)(H,51,57)(H,52,58)(H,53,59)(H,54,61)(H,55,60)/t30-,31-,40-,41-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ degli Studi di Milano Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum PLM2 using Lys-Glu-Phe-Val-Phe-NPhe-Ala-Leu-Lys as substrate by spectrophotometry				Bioorg Med Chem Lett 22: 5915-8 (2012) Article DOI: 10.1016/j.bmcl.2012.07.069 BindingDB Entry DOI: 10.7270/Q2M046HX
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50200018 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C53H74N8O9/c1-10-12-25-54-46(63)31-45(62)43(28-32(3)4)60-53(68)47(33(5)11-2)61-52(67)38-19-23-41(24-20-38)70-40-21-17-37(18-22-40)51(66)59-36(8)50(65)58-35(7)49(64)56-27-13-15-34(6)57-44-30-42(69-9)29-39-16-14-26-55-48(39)44/h14,16-24,26,29-30,32-36,43,45,47,57,62H,10-13,15,25,27-28,31H2,1-9H3,(H,54,63)(H,56,64)(H,58,65)(H,59,66)(H,60,68)(H,61,67)/t33?,34?,35-,36-,43-,45-,47-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029462 (2-{3-[3-(5-Ethyl-4'-fluoro-2-hydroxy-biphenyl-4-yl...) Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)-c2ccc(F)cc2)cccc1S(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C33H33FO6S/c1-3-9-25-29(11-7-13-31(25)41(38)32-12-6-5-10-26(32)33(36)37)39-18-8-19-40-30-21-28(35)27(20-22(30)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	5.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards LTB4 receptor guinea pig spleen cells using [3H]-LTB4 as radioligand				J Med Chem 38: 4411-32 (1995) BindingDB Entry DOI: 10.7270/Q20V8BSQ
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50228081 ((S)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1...) Show SMILES C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human mineralocorticoid receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50228078 ((S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethy...) Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F Show InChI InChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human glucocorticoid receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50200015 ((S)-2-(2S-(4-(4-(((2S,3S)-1-((3S,4S)-1-(butylamino...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)OCCC)cc1)C(C)CC |r| Show InChI InChI=1S/C47H74N6O9/c1-9-12-25-49-41(55)29-40(54)38(27-30(4)5)51-46(59)42(32(8)11-3)53-44(57)34-18-22-36(23-19-34)62-35-20-16-33(17-21-35)43(56)52-39(28-31(6)7)45(58)50-37(15-13-14-24-48)47(60)61-26-10-2/h16-23,30-32,37-40,42,54H,9-15,24-29,48H2,1-8H3,(H,49,55)(H,50,58)(H,51,59)(H,52,56)(H,53,57)/t32?,37-,38-,39-,40-,42-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50200019 ((S)-2-(2S-(4-(4-(((2S,3S)-1-((3S,4S)-1-(butylamino...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OCCC)cc1)C(C)CC |r| Show InChI InChI=1S/C52H82N6O11/c1-12-15-27-53-44(60)32-43(59)41(30-33(4)5)56-49(64)45(35(8)14-3)58-47(62)37-21-25-39(26-22-37)68-38-23-19-36(20-24-38)46(61)57-42(31-34(6)7)48(63)55-40(50(65)67-29-13-2)18-16-17-28-54-51(66)69-52(9,10)11/h19-26,33-35,40-43,45,59H,12-18,27-32H2,1-11H3,(H,53,60)(H,54,66)(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t35?,40-,41-,42-,43-,45-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50200015 ((S)-2-(2S-(4-(4-(((2S,3S)-1-((3S,4S)-1-(butylamino...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)OCCC)cc1)C(C)CC |r| Show InChI InChI=1S/C47H74N6O9/c1-9-12-25-49-41(55)29-40(54)38(27-30(4)5)51-46(59)42(32(8)11-3)53-44(57)34-18-22-36(23-19-34)62-35-20-16-33(17-21-35)43(56)52-39(28-31(6)7)45(58)50-37(15-13-14-24-48)47(60)61-26-10-2/h16-23,30-32,37-40,42,54H,9-15,24-29,48H2,1-8H3,(H,49,55)(H,50,58)(H,51,59)(H,52,56)(H,53,57)/t32?,37-,38-,39-,40-,42-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM1				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50200017 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(6-amino-1-...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C56H81N9O9/c1-9-11-28-58-49(67)34-48(66)46(31-35(3)4)64-56(72)50(36(5)10-2)65-54(70)40-21-25-43(26-22-40)74-42-23-19-39(20-24-42)53(69)62-38(7)52(68)63-45(18-12-13-27-57)55(71)60-30-14-16-37(6)61-47-33-44(73-8)32-41-17-15-29-59-51(41)47/h15,17,19-26,29,32-33,35-38,45-46,48,50,61,66H,9-14,16,18,27-28,30-31,34,57H2,1-8H3,(H,58,67)(H,60,71)(H,62,69)(H,63,68)(H,64,72)(H,65,70)/t36?,37?,38-,45-,46-,48-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50200020 ((3S,4S)-4-((2S,3S)-2-(4-(4-((4-(6-methoxyquinolin-...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C47H64N6O7/c1-8-10-23-48-42(55)29-41(54)39(26-30(3)4)52-47(58)43(31(5)9-2)53-46(57)34-17-21-37(22-18-34)60-36-19-15-33(16-20-36)45(56)50-25-11-13-32(6)51-40-28-38(59-7)27-35-14-12-24-49-44(35)40/h12,14-22,24,27-28,30-32,39,41,43,51,54H,8-11,13,23,25-26,29H2,1-7H3,(H,48,55)(H,50,56)(H,52,58)(H,53,57)/t31?,32?,39-,41-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	11	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50200021 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-(1-(4-(6-methoxyqu...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C53H75N7O8/c1-10-12-25-54-47(62)32-46(61)43(28-33(3)4)58-53(66)48(35(7)11-2)60-51(64)38-19-23-41(24-20-38)68-40-21-17-37(18-22-40)50(63)59-45(29-34(5)6)52(65)56-27-13-15-36(8)57-44-31-42(67-9)30-39-16-14-26-55-49(39)44/h14,16-24,26,30-31,33-36,43,45-46,48,57,61H,10-13,15,25,27-29,32H2,1-9H3,(H,54,62)(H,56,65)(H,58,66)(H,59,63)(H,60,64)/t35?,36?,43-,45-,46-,48-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	12	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19969 ((2S,6R,7S)-7-(4-hydroxyphenyl)-8-oxatricyclo[7.4.0...) Show SMILES Oc1ccc(cc1)[C@H]1Oc2ccc(O)cc2[C@H]2CCC[C@@H]12 |r| Show InChI InChI=1S/C18H18O3/c19-12-6-4-11(5-7-12)18-15-3-1-2-14(15)16-10-13(20)8-9-17(16)21-18/h4-10,14-15,18-20H,1-3H2/t14-,15+,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem Patents Similars	Article PubMed	14.5	-44.3	n/a	n/a	32.5	n/a	n/a	7.5	22
Lilly Research Laboratories					Assay Description The binding affinities were determined by a competitive radiometric binding assay using [3H]estradiol as tracer. The Kd for 3H-estradiol was determin...				J Med Chem 49: 6155-7 (2006) Article DOI: 10.1021/jm060491j BindingDB Entry DOI: 10.7270/Q2N014SV
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50200019 ((S)-2-(2S-(4-(4-(((2S,3S)-1-((3S,4S)-1-(butylamino...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)OCCC)cc1)C(C)CC |r| Show InChI InChI=1S/C52H82N6O11/c1-12-15-27-53-44(60)32-43(59)41(30-33(4)5)56-49(64)45(35(8)14-3)58-47(62)37-21-25-39(26-22-37)68-38-23-19-36(20-24-38)46(61)57-42(31-34(6)7)48(63)55-40(50(65)67-29-13-2)18-16-17-28-54-51(66)69-52(9,10)11/h19-26,33-35,40-43,45,59H,12-18,27-32H2,1-11H3,(H,53,60)(H,54,66)(H,55,63)(H,56,64)(H,57,61)(H,58,62)/t35?,40-,41-,42-,43-,45-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	17	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM1				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029452 (2-{3-[3-(5-Ethyl-4'-fluoro-2-hydroxy-biphenyl-4-yl...) Show SMILES CCCc1c(Cc2ccccc2C(O)=O)cccc1OCCCOc1cc(O)c(cc1CC)-c1ccc(F)cc1 Show InChI InChI=1S/C34H35FO5/c1-3-9-28-25(20-26-10-5-6-12-29(26)34(37)38)11-7-13-32(28)39-18-8-19-40-33-22-31(36)30(21-23(33)4-2)24-14-16-27(35)17-15-24/h5-7,10-17,21-22,36H,3-4,8-9,18-20H2,1-2H3,(H,37,38)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards LTB4 receptor guinea pig spleen cells using [3H]-LTB4 as radioligand				J Med Chem 38: 4411-32 (1995) BindingDB Entry DOI: 10.7270/Q20V8BSQ
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50200014 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C56H80N8O9/c1-11-13-26-57-49(66)33-48(65)45(29-34(3)4)62-56(71)50(36(7)12-2)64-54(69)40-20-24-43(25-21-40)73-42-22-18-39(19-23-42)53(68)63-47(30-35(5)6)55(70)61-38(9)52(67)59-28-14-16-37(8)60-46-32-44(72-10)31-41-17-15-27-58-51(41)46/h15,17-25,27,31-32,34-38,45,47-48,50,60,65H,11-14,16,26,28-30,33H2,1-10H3,(H,57,66)(H,59,67)(H,61,70)(H,62,71)(H,63,68)(H,64,69)/t36?,37?,38-,45-,47-,48-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50228080 (2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...) Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6| Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	32.6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human glucocorticoid receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029468 (2-{3-[3-(5-Ethyl-4'-fluoro-2-hydroxy-biphenyl-4-yl...) Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)-c2ccc(F)cc2)cccc1C(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C34H33FO6/c1-3-9-25-26(33(37)27-10-5-6-11-28(27)34(38)39)12-7-13-31(25)40-18-8-19-41-32-21-30(36)29(20-22(32)4-2)23-14-16-24(35)17-15-23/h5-7,10-17,20-21,36H,3-4,8-9,18-19H2,1-2H3,(H,38,39)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards LTB4 receptor guinea pig spleen cells using [3H]-LTB4 as radioligand				J Med Chem 38: 4411-32 (1995) BindingDB Entry DOI: 10.7270/Q20V8BSQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50200017 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(6-amino-1-...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C56H81N9O9/c1-9-11-28-58-49(67)34-48(66)46(31-35(3)4)64-56(72)50(36(5)10-2)65-54(70)40-21-25-43(26-22-40)74-42-23-19-39(20-24-42)53(69)62-38(7)52(68)63-45(18-12-13-27-57)55(71)60-30-14-16-37(6)61-47-33-44(73-8)32-41-17-15-29-59-51(41)47/h15,17,19-26,29,32-33,35-38,45-46,48,50,61,66H,9-14,16,18,27-28,30-31,34,57H2,1-8H3,(H,58,67)(H,60,71)(H,62,69)(H,63,68)(H,64,72)(H,65,70)/t36?,37?,38-,45-,46-,48-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM1				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029467 (2-{3-[3-(5-Ethyl-4'-fluoro-2-hydroxy-biphenyl-4-yl...) Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)-c2ccc(F)cc2)cccc1S(=O)(=O)c1ccccc1C(O)=O Show InChI InChI=1S/C33H33FO7S/c1-3-9-25-29(11-7-13-31(25)42(38,39)32-12-6-5-10-26(32)33(36)37)40-18-8-19-41-30-21-28(35)27(20-22(30)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	36	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards LTB4 receptor guinea pig spleen cells using [3H]-LTB4 as radioligand				J Med Chem 38: 4411-32 (1995) BindingDB Entry DOI: 10.7270/Q20V8BSQ
					More data for this Ligand-Target Pair
Androgen receptor (Homo sapiens (Human))	BDBM50228080 (2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...) Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6| Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	39.4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human androgen receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Leukotriene B4 receptor 1 (Homo sapiens (Human))	BDBM50029484 (2-{3-[3-(5-Ethyl-4'-fluoro-2-hydroxy-biphenyl-4-yl...) Show SMILES CCCc1c(OCCCOc2cc(O)c(cc2CC)-c2ccc(F)cc2)cccc1Sc1ccccc1C(O)=O Show InChI InChI=1S/C33H33FO5S/c1-3-9-25-29(11-7-13-31(25)40-32-12-6-5-10-26(32)33(36)37)38-18-8-19-39-30-21-28(35)27(20-22(30)4-2)23-14-16-24(34)17-15-23/h5-7,10-17,20-21,35H,3-4,8-9,18-19H2,1-2H3,(H,36,37)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	42	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity towards LTB4 receptor guinea pig spleen cells using [3H]-LTB4 as radioligand				J Med Chem 38: 4411-32 (1995) BindingDB Entry DOI: 10.7270/Q20V8BSQ
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50200023 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C59H86N8O9/c1-12-14-27-60-52(69)35-51(68)47(30-36(3)4)64-59(74)53(39(9)13-2)67-56(71)42-21-25-45(26-22-42)76-44-23-19-41(20-24-44)55(70)65-50(32-38(7)8)58(73)66-49(31-37(5)6)57(72)62-29-15-17-40(10)63-48-34-46(75-11)33-43-18-16-28-61-54(43)48/h16,18-26,28,33-34,36-40,47,49-51,53,63,68H,12-15,17,27,29-32,35H2,1-11H3,(H,60,69)(H,62,72)(H,64,74)(H,65,70)(H,66,73)(H,67,71)/t39?,40?,47-,49-,50-,51-,53-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	58	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM1				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50146527 ((3S,4S)-N-butyl-3-hydroxy-6-methyl-4-((2S,3S)-3-me...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)C(C)CC Show InChI InChI=1S/C30H45N3O5/c1-6-8-15-31-27(35)18-26(34)25(16-20(3)4)32-30(37)29(21(5)7-2)33-28(36)19-38-24-14-13-22-11-9-10-12-23(22)17-24/h9-14,17,20-21,25-26,29,34H,6-8,15-16,18-19H2,1-5H3,(H,31,35)(H,32,37)(H,33,36)/t21?,25-,26-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	59	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50200014 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C56H80N8O9/c1-11-13-26-57-49(66)33-48(65)45(29-34(3)4)62-56(71)50(36(7)12-2)64-54(69)40-20-24-43(25-21-40)73-42-22-18-39(19-23-42)53(68)63-47(30-35(5)6)55(70)61-38(9)52(67)59-28-14-16-37(8)60-46-32-44(72-10)31-41-17-15-27-58-51(41)46/h15,17-25,27,31-32,34-38,45,47-48,50,60,65H,11-14,16,26,28-30,33H2,1-10H3,(H,57,66)(H,59,67)(H,61,70)(H,62,71)(H,63,68)(H,64,69)/t36?,37?,38-,45-,47-,48-,50-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	74	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM1				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50200020 ((3S,4S)-4-((2S,3S)-2-(4-(4-((4-(6-methoxyquinolin-...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C47H64N6O7/c1-8-10-23-48-42(55)29-41(54)39(26-30(3)4)52-47(58)43(31(5)9-2)53-46(57)34-17-21-37(22-18-34)60-36-19-15-33(16-20-36)45(56)50-25-11-13-32(6)51-40-28-38(59-7)27-35-14-12-24-49-44(35)40/h12,14-22,24,27-28,30-32,39,41,43,51,54H,8-11,13,23,25-26,29H2,1-7H3,(H,48,55)(H,50,56)(H,52,58)(H,53,57)/t31?,32?,39-,41-,43-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	81	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM1				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50200023 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(1-(4-(6-me...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C59H86N8O9/c1-12-14-27-60-52(69)35-51(68)47(30-36(3)4)64-59(74)53(39(9)13-2)67-56(71)42-21-25-45(26-22-42)76-44-23-19-41(20-24-44)55(70)65-50(32-38(7)8)58(73)66-49(31-37(5)6)57(72)62-29-15-17-40(10)63-48-34-46(75-11)33-43-18-16-28-61-54(43)48/h16,18-26,28,33-34,36-40,47,49-51,53,63,68H,12-15,17,27,29-32,35H2,1-11H3,(H,60,69)(H,62,72)(H,64,74)(H,65,70)(H,66,73)(H,67,71)/t39?,40?,47-,49-,50-,51-,53-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	103	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50146524 ((S)-3-(S)-Hydroxy-4-{(S)-3-methyl-2-[2-(naphthalen...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC Show InChI InChI=1S/C33H43N3O5/c1-4-6-18-34-30(38)21-29(37)28(19-24-12-8-7-9-13-24)35-33(40)32(23(3)5-2)36-31(39)22-41-27-17-16-25-14-10-11-15-26(25)20-27/h7-17,20,23,28-29,32,37H,4-6,18-19,21-22H2,1-3H3,(H,34,38)(H,35,40)(H,36,39)/t23?,28-,29-,32-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	110	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description In vitro binding affinity towards Plasmodium falciparum plasmepsin-2				Bioorg Med Chem Lett 14: 2931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.030 BindingDB Entry DOI: 10.7270/Q2G44QVR
					More data for this Ligand-Target Pair
Mineralocorticoid receptor (Homo sapiens (Human))	BDBM50228077 (CHEMBL237122 | epierenone) Show SMILES COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)C2[C@@H]3O[C@@H]3[C@@]3(C)C(CC[C@@]33CCC(=O)O3)C12 |t:6| Show InChI InChI=1S/C24H30O6/c1-22-7-4-13(25)10-12(22)11-14(21(27)28-3)17-15-5-8-24(9-6-16(26)30-24)23(15,2)20-19(29-20)18(17)22/h10,14-15,17-20H,4-9,11H2,1-3H3/t14-,15?,17?,18?,19+,20+,22+,23-,24-/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	124	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human mineralocorticoid receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50228079 ((R)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1...) Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	137	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50228078 ((S)-N-(3-(1-cyclopropyl-1-(2,4-difluorophenyl)ethy...) Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1F Show InChI InChI=1S/C20H20F2N2O2S/c1-20(12-6-7-12,15-9-8-13(21)10-17(15)22)16-11-23-19-14(16)4-3-5-18(19)24-27(2,25)26/h3-5,8-12,23-24H,6-7H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	163	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50228079 ((R)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1...) Show SMILES C[C@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m1/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	167	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human glucocorticoid receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50223627 (CHEMBL3215350) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)COc1ccc2ccccc2c1)[C@@H](C)CC Show InChI InChI=1S/C30H45N3O5/c1-6-8-15-31-27(35)18-26(34)25(16-20(3)4)32-30(37)29(21(5)7-2)33-28(36)19-38-24-14-13-22-11-9-10-12-23(22)17-24/h9-14,17,20-21,25-26,29,34H,6-8,15-16,18-19H2,1-5H3,(H,31,35)(H,32,37)(H,33,36)/t21-,25-,26-,29-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description In vitro binding affinity towards Plasmodium falciparum plasmepsin-2				Bioorg Med Chem Lett 14: 2931-4 (2004) Article DOI: 10.1016/j.bmcl.2004.03.030 BindingDB Entry DOI: 10.7270/Q2G44QVR
					More data for this Ligand-Target Pair
Plasmepsin I (Plasmodium falciparum)	BDBM50200016 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(6-(tert-bu...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C64H95N9O11/c1-13-15-31-65-55(75)39-54(74)51(35-40(3)4)71-62(80)56(42(7)14-2)73-59(77)45-25-29-48(30-26-45)83-47-27-23-44(24-28-47)58(76)72-53(36-41(5)6)61(79)70-50(22-16-17-32-68-63(81)84-64(9,10)11)60(78)67-34-18-20-43(8)69-52-38-49(82-12)37-46-21-19-33-66-57(46)52/h19,21,23-30,33,37-38,40-43,50-51,53-54,56,69,74H,13-18,20,22,31-32,34-36,39H2,1-12H3,(H,65,75)(H,67,78)(H,68,81)(H,70,79)(H,71,80)(H,72,76)(H,73,77)/t42?,43?,50-,51-,53-,54-,56-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	230	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM1				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50228081 ((S)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1...) Show SMILES C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	313	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Glucocorticoid receptor (Homo sapiens (Human))	BDBM50228081 ((S)-N-(3-(1-cyclopropyl-1-(4-fluorophenyl)ethyl)-1...) Show SMILES C[C@@](C1CC1)(c1c[nH]c2c(NS(C)(=O)=O)cccc12)c1ccc(F)cc1 Show InChI InChI=1S/C20H21FN2O2S/c1-20(13-6-7-13,14-8-10-15(21)11-9-14)17-12-22-19-16(17)4-3-5-18(19)23-26(2,24)25/h3-5,8-13,22-23H,6-7H2,1-2H3/t20-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	387	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human glucocorticoid receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50228080 (2',15'-dimethyl-5,5'-dioxo-(9'R)-spiro[tetrahydrof...) Show SMILES CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]33CCC(=O)O3)[C@H]12 |r,t:6| Show InChI InChI=1S/C24H32O4S/c1-14(25)29-19-13-15-12-16(26)4-8-22(15,2)17-5-9-23(3)18(21(17)19)6-10-24(23)11-7-20(27)28-24/h12,17-19,21H,4-11,13H2,1-3H3/t17-,18-,19+,21+,22-,23-,24+/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	DrugBank Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Lilly Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human progesterone receptor				J Med Chem 50: 6443-5 (2007) Article DOI: 10.1021/jm701186z BindingDB Entry DOI: 10.7270/Q23B5ZVP
					More data for this Ligand-Target Pair
Plasmepsin II (Plasmodium falciparum)	BDBM50200016 ((3S,4S)-4-((2S,3S)-2-(4-(4-((S)-((S)-1-(6-(tert-bu...) Show SMILES CCCCNC(=O)C[C@H](O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)c1ccc(Oc2ccc(cc2)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCNC(=O)OC(C)(C)C)C(=O)NCCCC(C)Nc2cc(OC)cc3cccnc23)cc1)C(C)CC |r| Show InChI InChI=1S/C64H95N9O11/c1-13-15-31-65-55(75)39-54(74)51(35-40(3)4)71-62(80)56(42(7)14-2)73-59(77)45-25-29-48(30-26-45)83-47-27-23-44(24-28-47)58(76)72-53(36-41(5)6)61(79)70-50(22-16-17-32-68-63(81)84-64(9,10)11)60(78)67-34-18-20-43(8)69-52-38-49(82-12)37-46-21-19-33-66-57(46)52/h19,21,23-30,33,37-38,40-43,50-51,53-54,56,69,74H,13-18,20,22,31-32,34-36,39H2,1-12H3,(H,65,75)(H,67,78)(H,68,81)(H,70,79)(H,71,80)(H,72,76)(H,73,77)/t42?,43?,50-,51-,53-,54-,56-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	403	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Milan Curated by ChEMBL					Assay Description Inhibition of Plasmodium falciparum recombinant PLM2				J Med Chem 49: 7440-9 (2006) Article DOI: 10.1021/jm061033d BindingDB Entry DOI: 10.7270/Q29P319W
					More data for this Ligand-Target Pair

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