Compile Data Set for Download or QSAR

Found 77 hits with Last Name = 'ongeri' 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
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174419 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCOCCOCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1 Show InChI InChI=1S/C38H54Cl2N6O10/c1-51-33-23-31(41)29(39)21-27(33)37(49)55-17-13-45-9-3-25(4-10-45)35(47)43-7-15-53-19-20-54-16-8-44-36(48)26-5-11-46(12-6-26)14-18-56-38(50)28-22-30(40)32(42)24-34(28)52-2/h21-26H,3-20,41-42H2,1-2H3,(H,43,47)(H,44,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50000040 (((2S,3S)-2-Benzhydryl-1-aza-bicyclo[2.2.2]oct-3-yl...) Show SMILES COc1ccccc1CN[C@H]1C2CCN(CC2)[C@H]1C(c1ccccc1)c1ccccc1 |wD:10.10,17.20,(11.79,-2.71,;10.31,-3.13,;9.22,-2.04,;10.55,-1.27,;10.57,.27,;9.22,1.04,;7.89,.27,;7.89,-1.26,;6.56,-2.01,;6.56,-3.55,;5.21,-4.32,;3.92,-3.55,;3.16,-4.88,;4.65,-5.3,;3.88,-6.63,;2.57,-5.86,;2.57,-4.32,;5.21,-5.86,;6.56,-6.63,;6.54,-8.17,;5.21,-8.94,;5.21,-10.48,;6.54,-11.25,;7.89,-10.48,;7.87,-8.94,;7.89,-5.86,;9.22,-6.63,;10.55,-5.88,;10.55,-4.34,;9.22,-3.55,;7.89,-4.34,)| Show InChI InChI=1S/C28H32N2O/c1-31-25-15-9-8-14-24(25)20-29-27-23-16-18-30(19-17-23)28(27)26(21-10-4-2-5-11-21)22-12-6-3-7-13-22/h2-15,23,26-29H,16-20H2,1H3/t27-,28-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	3.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Chimie Thérapeutique associé au CNRS et à l'Université René Descartes (UMR 8638) Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H]-[Pro9]-SP as radioligand				Bioorg Med Chem Lett 11: 659-61 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8CR0
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM29526 (2-Piperidinoethyl 4-amino-5-chloro-2-methoxybenzoa...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCCCC1 Show InChI InChI=1S/C15H21ClN2O3/c1-20-14-10-13(17)12(16)9-11(14)15(19)21-8-7-18-5-3-2-4-6-18/h9-10H,2-8,17H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174440 (1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1 Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-16-44-13-7-24(8-14-44)34(47)42-10-4-2-3-9-41-33(46)23-5-11-43(12-6-23)15-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,46)(H,42,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174432 (1-[2-(3-amino-4-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCc1cccc(CNC(=O)C2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)c1 Show InChI InChI=1S/C40H50Cl2N6O8/c1-53-35-21-33(43)31(41)19-29(35)39(51)55-16-14-47-10-6-27(7-11-47)37(49)45-23-25-4-3-5-26(18-25)24-46-38(50)28-8-12-48(13-9-28)15-17-56-40(52)30-20-32(42)34(44)22-36(30)54-2/h3-5,18-22,27-28H,6-17,23-24,43-44H2,1-2H3,(H,45,49)(H,46,50)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174414 (4-(3-{1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbon...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1 Show InChI InChI=1S/C34H46Cl2N6O8/c1-48-30-20-28(38)26(36)18-24(30)34(47)50-16-14-42-11-7-22(8-12-42)40-32(45)4-2-3-31(44)39-21-5-9-41(10-6-21)13-15-49-33(46)23-17-25(35)27(37)19-29(23)43/h17-22,43H,2-16,37-38H2,1H3,(H,39,44)(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174416 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCOCCOCCOCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1 Show InChI InChI=1S/C40H58Cl2N6O11/c1-53-35-24-33(43)31(41)22-29(35)39(51)58-16-13-47-9-4-27(5-10-47)37(49)45-8-3-15-55-18-19-56-20-21-57-26-46-38(50)28-6-11-48(12-7-28)14-17-59-40(52)30-23-32(42)34(44)25-36(30)54-2/h22-25,27-28H,3-21,26,43-44H2,1-2H3,(H,45,49)(H,46,50)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174434 (1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1 Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-15-43-11-6-23(7-12-43)34(47)41-10-4-2-3-5-33(46)42-24-8-13-44(14-9-24)16-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,47)(H,42,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	7	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174430 (1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCCCCCCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1 Show InChI InChI=1S/C41H60Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(54)57-23-21-49-18-12-29(13-19-49)39(52)47-15-9-7-5-3-2-4-6-8-14-46-38(51)28-10-16-48(17-11-28)20-22-56-40(53)30-24-32(42)34(44)26-36(30)50/h24-29,50H,2-23,44-45H2,1H3,(H,46,51)(H,47,52)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174421 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 Show InChI InChI=1S/C36H50Cl2N6O8/c1-49-31-19-29(39)27(37)17-25(31)35(47)51-15-13-43-9-5-23(6-10-43)21-41-33(45)3-4-34(46)42-22-24-7-11-44(12-8-24)14-16-52-36(48)26-18-28(38)30(40)20-32(26)50-2/h17-20,23-24H,3-16,21-22,39-40H2,1-2H3,(H,41,45)(H,42,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174435 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 Show InChI InChI=1S/C37H52Cl2N6O8/c1-50-32-20-30(40)28(38)18-26(32)36(48)52-16-14-44-10-6-24(7-11-44)22-42-34(46)4-3-5-35(47)43-23-25-8-12-45(13-9-25)15-17-53-37(49)27-19-29(39)31(41)21-33(27)51-2/h18-21,24-25H,3-17,22-23,40-41H2,1-2H3,(H,42,46)(H,43,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174420 (1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1 Show InChI InChI=1S/C36H50Cl2N6O8/c1-50-32-22-30(40)28(38)20-26(32)36(49)52-18-16-44-13-9-24(10-14-44)42-34(47)6-4-2-3-5-33(46)41-23-7-11-43(12-8-23)15-17-51-35(48)25-19-27(37)29(39)21-31(25)45/h19-24,45H,2-18,39-40H2,1H3,(H,41,46)(H,42,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	9	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174443 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 Show InChI InChI=1S/C38H54Cl2N6O8/c1-51-33-23-31(41)29(39)21-27(33)37(49)53-19-17-45-13-7-25(8-14-45)5-11-43-35(47)3-4-36(48)44-12-6-26-9-15-46(16-10-26)18-20-54-38(50)28-22-30(40)32(42)24-34(28)52-2/h21-26H,3-20,41-42H2,1-2H3,(H,43,47)(H,44,48)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174444 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 Show InChI InChI=1S/C39H56Cl2N6O8/c1-52-34-22-32(42)30(40)20-28(34)38(50)54-18-16-46-12-8-26(9-13-46)24-44-36(48)6-4-3-5-7-37(49)45-25-27-10-14-47(15-11-27)17-19-55-39(51)29-21-31(41)33(43)23-35(29)53-2/h20-23,26-27H,3-19,24-25,42-43H2,1-2H3,(H,44,48)(H,45,49)	PDB UniProtKB/SwissProt antibodypedia 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
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174422 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 Show InChI InChI=1S/C39H56Cl2N6O8/c1-52-34-24-32(42)30(40)22-28(34)38(50)54-20-18-46-14-8-26(9-15-46)6-12-44-36(48)4-3-5-37(49)45-13-7-27-10-16-47(17-11-27)19-21-55-39(51)29-23-31(41)33(43)25-35(29)53-2/h22-27H,3-21,42-43H2,1-2H3,(H,44,48)(H,45,49)	PDB UniProtKB/SwissProt antibodypedia 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
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174417 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 Show InChI InChI=1S/C41H60Cl2N6O8/c1-54-36-26-34(44)32(42)24-30(36)40(52)56-22-20-48-16-10-28(11-17-48)8-14-46-38(50)6-4-3-5-7-39(51)47-15-9-29-12-18-49(19-13-29)21-23-57-41(53)31-25-33(43)35(45)27-37(31)55-2/h24-29H,3-23,44-45H2,1-2H3,(H,46,50)(H,47,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174439 (4-Amino-5-chloro-2-methoxy-benzoic acid 2-[4-(11-a...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN Show InChI InChI=1S/C26H43ClN4O4/c1-34-24-19-23(29)22(27)18-21(24)26(33)35-17-16-31-14-11-20(12-15-31)30-25(32)10-8-6-4-2-3-5-7-9-13-28/h18-20H,2-17,28-29H2,1H3,(H,30,32)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174415 (1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1 Show InChI InChI=1S/C34H46Cl2N6O8/c1-48-30-20-28(38)26(36)18-24(30)34(47)50-16-14-42-11-5-22(6-12-42)32(45)40-8-2-7-39-31(44)21-3-9-41(10-4-21)13-15-49-33(46)23-17-25(35)27(37)19-29(23)43/h17-22,43H,2-16,37-38H2,1H3,(H,39,44)(H,40,45)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174433 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(Cc2ccccc2)CC1 Show InChI InChI=1S/C39H58ClN5O5/c1-49-36-28-35(41)34(40)27-33(36)39(48)50-26-25-44-21-17-31(18-22-44)42-37(46)15-11-6-4-2-3-5-7-12-16-38(47)43-32-19-23-45(24-20-32)29-30-13-9-8-10-14-30/h8-10,13-14,27-28,31-32H,2-7,11-12,15-26,29,41H2,1H3,(H,42,46)(H,43,47)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174425 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CNC(=O)CCCCCCCCCCC(=O)NCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 Show InChI InChI=1S/C44H66Cl2N6O8/c1-57-39-27-37(47)35(45)25-33(39)43(55)59-23-21-51-17-13-31(14-18-51)29-49-41(53)11-9-7-5-3-4-6-8-10-12-42(54)50-30-32-15-19-52(20-16-32)22-24-60-44(56)34-26-36(46)38(48)28-40(34)58-2/h25-28,31-32H,3-24,29-30,47-48H2,1-2H3,(H,49,53)(H,50,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174442 (4-(10-{1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbo...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2O)CC1 Show InChI InChI=1S/C41H60Cl2N6O8/c1-55-37-27-35(45)33(43)25-31(37)41(54)57-23-21-49-18-14-29(15-19-49)47-39(52)11-9-7-5-3-2-4-6-8-10-38(51)46-28-12-16-48(17-13-28)20-22-56-40(53)30-24-32(42)34(44)26-36(30)50/h24-29,50H,2-23,44-45H2,1H3,(H,46,51)(H,47,52)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	16	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174431 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CCNC(=O)CCCCCCCCCCC(=O)NCCC2CCN(CCOC(=O)c3cc(Cl)c(N)cc3OC)CC2)CC1 Show InChI InChI=1S/C46H70Cl2N6O8/c1-59-41-31-39(49)37(47)29-35(41)45(57)61-27-25-53-21-15-33(16-22-53)13-19-51-43(55)11-9-7-5-3-4-6-8-10-12-44(56)52-20-14-34-17-23-54(24-18-34)26-28-62-46(58)36-30-38(48)40(50)32-42(36)60-2/h29-34H,3-28,49-50H2,1-2H3,(H,51,55)(H,52,56)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174427 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)C(=O)NCCOCCNC(=O)C1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1 Show InChI InChI=1S/C36H50Cl2N6O9/c1-49-31-21-29(39)27(37)19-25(31)35(47)52-17-13-43-9-3-23(4-10-43)33(45)41-7-15-51-16-8-42-34(46)24-5-11-44(12-6-24)14-18-53-36(48)26-20-28(38)30(40)22-32(26)50-2/h19-24H,3-18,39-40H2,1-2H3,(H,41,45)(H,42,46)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174424 (4-(2-{1-[2-(4-amino-5-chloro-2-hydroxyphenylcarbon...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1 Show InChI InChI=1S/C34H46Cl2N6O8/c1-47-29-19-27(37)25(35)17-23(29)33(45)49-15-13-41-9-5-21(6-10-41)39-31(43)3-4-32(44)40-22-7-11-42(12-8-22)14-16-50-34(46)24-18-26(36)28(38)20-30(24)48-2/h17-22H,3-16,37-38H2,1-2H3,(H,39,43)(H,40,44)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	21	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174428 (1-[2-(3-amino-4-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCc1ccc2c(c1)oc1cc(CCC(=O)NC3CCN(CCOC(=O)c4cc(Cl)c(N)cc4OC)CC3)ccc21 Show InChI InChI=1S/C48H56Cl2N6O9/c1-61-41-27-39(51)37(49)25-35(41)47(59)63-21-19-55-15-11-31(12-16-55)53-45(57)9-5-29-3-7-33-34-8-4-30(24-44(34)65-43(33)23-29)6-10-46(58)54-32-13-17-56(18-14-32)20-22-64-48(60)36-26-38(50)40(52)28-42(36)62-2/h3-4,7-8,23-28,31-32H,5-6,9-22,51-52H2,1-2H3,(H,53,57)(H,54,58)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	47	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174437 (1-[2-(4-amino-5-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCC(CC1)NC(=O)CCCCCCCCCCN(CCCCCCCCCCC(=O)NC1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1)CC(=O)NCC1CCNCC1 Show InChI InChI=1S/C60H97Cl2N9O9/c1-77-54-41-52(63)50(61)39-48(54)59(75)79-37-35-69-31-23-46(24-32-69)67-56(72)19-15-11-7-3-5-9-13-17-29-71(44-58(74)66-43-45-21-27-65-28-22-45)30-18-14-10-6-4-8-12-16-20-57(73)68-47-25-33-70(34-26-47)36-38-80-60(76)49-40-51(62)53(64)42-55(49)78-2/h39-42,45-47,65H,3-38,43-44,63-64H2,1-2H3,(H,66,74)(H,67,72)(H,68,73)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485783 (CHEMBL2164408) Show SMILES CC(C)[C@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)N[C@@H](C(C)C)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2c1)C(=O)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C |r| Show InChI InChI=1S/C48H76N8O12/c1-27(2)37(41(59)53-55-43(61)39(29(5)6)51-45(63)67-47(9,10)11)49-35(57)17-15-23-65-33-21-19-31-20-22-34(26-32(31)25-33)66-24-16-18-36(58)50-38(28(3)4)42(60)54-56-44(62)40(30(7)8)52-46(64)68-48(12,13)14/h19-22,25-30,37-40H,15-18,23-24H2,1-14H3,(H,49,57)(H,50,58)(H,51,63)(H,52,64)(H,53,59)(H,54,60)(H,55,61)(H,56,62)/t37-,38-,39-,40-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	50	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud 11 Curated by ChEMBL					Assay Description Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...				J Med Chem 55: 6762-75 (2012) Article DOI: 10.1021/jm300181j BindingDB Entry DOI: 10.7270/Q2125WJF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156909 (CHEMBL376817 | methyl (2S)-3-carbamoyl-2-[(2S)-2-[...) Show SMILES COC(=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)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C(C)C)C(=O)OC)cc2n1)[C@@H](C)O |r| Show InChI InChI=1S/C49H76N8O14/c1-26(2)22-34(44(62)54-36(25-37(50)59)48(66)68-10)53-47(65)43(30(9)58)56-39(61)15-13-21-71-40-19-17-31-16-18-32(24-33(31)51-40)70-20-12-14-38(60)55-41(28(5)6)46(64)52-35(23-27(3)4)45(63)57-42(29(7)8)49(67)69-11/h16-19,24,26-30,34-36,41-43,58H,12-15,20-23,25H2,1-11H3,(H2,50,59)(H,52,64)(H,53,65)(H,54,62)(H,55,60)(H,56,61)(H,57,63)/t30-,34+,35+,36+,41+,42+,43+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	80	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485784 (CHEMBL2164407) 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)NNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)cc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C50H79N7O12/c1-28(2)25-37(44(60)54-43(32(9)10)48(64)66-14)51-45(61)40(29(3)4)52-38(58)17-15-23-67-35-21-19-33-20-22-36(27-34(33)26-35)68-24-16-18-39(59)53-41(30(5)6)46(62)56-57-47(63)42(31(7)8)55-49(65)69-50(11,12)13/h19-22,26-32,37,40-43H,15-18,23-25H2,1-14H3,(H,51,61)(H,52,58)(H,53,59)(H,54,60)(H,55,65)(H,56,62)(H,57,63)/t37-,40-,41-,42-,43-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud 11 Curated by ChEMBL					Assay Description Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...				J Med Chem 55: 6762-75 (2012) Article DOI: 10.1021/jm300181j BindingDB Entry DOI: 10.7270/Q2125WJF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease 150V mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156906 (CHEMBL375050 | methyl (2S)-2-[(2S)-2-[(2S)-2-(4-{[...) 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)nc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C51H81N7O12/c1-28(2)25-37(46(61)57-44(32(9)10)50(65)67-13)53-48(63)42(30(5)6)55-39(59)17-15-23-69-35-21-19-34-20-22-41(52-36(34)27-35)70-24-16-18-40(60)56-43(31(7)8)49(64)54-38(26-29(3)4)47(62)58-45(33(11)12)51(66)68-14/h19-22,27-33,37-38,42-45H,15-18,23-26H2,1-14H3,(H,53,63)(H,54,64)(H,55,59)(H,56,60)(H,57,61)(H,58,62)/t37-,38-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50097646 ((2-Methoxy-benzyl)-[1-(methylamino-phenyl-methyl)-...) Show SMILES CNC(c1ccccc1)C1(CC1)NCc1ccccc1OC Show InChI InChI=1S/C19H24N2O/c1-20-18(15-8-4-3-5-9-15)19(12-13-19)21-14-16-10-6-7-11-17(16)22-2/h3-11,18,20-21H,12-14H2,1-2H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Chimie Thérapeutique associé au CNRS et à l'Université René Descartes (UMR 8638) Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H]-[Pro9]-SP as radioligand				Bioorg Med Chem Lett 11: 659-61 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8CR0
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-1))	BDBM50485785 (CHEMBL2164409) Show SMILES COC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NNC(=O)NNC(=O)N[C@@H](C(C)C)C(N)=O)cc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C42H65N9O11/c1-23(2)20-31(38(55)46-36(26(7)8)40(57)60-9)44-39(56)35(25(5)6)45-32(52)12-10-18-61-29-16-14-27-15-17-30(22-28(27)21-29)62-19-11-13-33(53)48-50-42(59)51-49-41(58)47-34(24(3)4)37(43)54/h14-17,21-26,31,34-36H,10-13,18-20H2,1-9H3,(H2,43,54)(H,44,56)(H,45,52)(H,46,55)(H,48,53)(H2,47,49,58)(H2,50,51,59)/t31-,34-,35-,36-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud 11 Curated by ChEMBL					Assay Description Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...				J Med Chem 55: 6762-75 (2012) Article DOI: 10.1021/jm300181j BindingDB Entry DOI: 10.7270/Q2125WJF
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease ANAM-11 mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174423 (1-[2-(3-amino-4-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCCCCCCC(=O)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1 Show InChI InChI=1S/C40H58Cl2N6O8/c1-53-35-27-33(43)31(41)25-29(35)39(51)55-23-21-45-13-17-47(18-14-45)37(49)11-9-7-5-3-4-6-8-10-12-38(50)48-19-15-46(16-20-48)22-24-56-40(52)30-26-32(42)34(44)28-36(30)54-2/h25-28H,3-24,43-44H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191464 (CHEMBL212749 | methyl (2S)-2-[(2S)-2-[(2S)-2-(4-{[...) 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)NNC(=O)c3cc(NC(C)=O)ccc3OC)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C50H71N7O12/c1-28(2)24-39(47(62)55-45(31(7)8)50(65)67-11)52-48(63)43(29(3)4)53-41(59)14-12-22-68-36-19-16-33-17-20-37(26-34(33)25-36)69-23-13-15-42(60)54-44(30(5)6)49(64)57-56-46(61)38-27-35(51-32(9)58)18-21-40(38)66-10/h16-21,25-31,39,43-45H,12-15,22-24H2,1-11H3,(H,51,58)(H,52,63)(H,53,59)(H,54,60)(H,55,62)(H,56,61)(H,57,64)/t39-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease dimerization				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156901 ((S)-tert-butyl 5-((S)-1-amino-4-methyl-1-oxopentan...) 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](Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C59H87N7O14/c1-34(2)29-45(53(60)71)63-54(72)44(25-26-50(70)80-59(9,10)11)62-55(73)47(31-38-17-21-41(67)22-18-38)61-48(68)15-13-27-78-42-23-19-39-20-24-43(33-40(39)32-42)79-28-14-16-49(69)65-51(36(5)6)57(75)64-46(30-35(3)4)56(74)66-52(37(7)8)58(76)77-12/h17-24,32-37,44-47,51-52,67H,13-16,25-31H2,1-12H3,(H2,60,71)(H,61,68)(H,62,73)(H,63,72)(H,64,75)(H,65,69)(H,66,74)/t44-,45-,46-,47-,51-,52-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank 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
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	240	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease V82A mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156902 ((S)-methyl 2-((S)-2-((S)-2-(4-(2-(4-((2S,3S)-1-((2...) Show SMILES CC[C@H](C)[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)cc2n1)C(=O)N[C@@H]([C@@H](C)O)C(N)=O |r| Show InChI InChI=1S/C44H69N7O11/c1-11-27(8)38(43(58)51-39(28(9)52)40(45)55)49-34(54)15-13-21-62-35-19-17-29-16-18-30(23-31(29)46-35)61-20-12-14-33(53)48-36(25(4)5)42(57)47-32(22-24(2)3)41(56)50-37(26(6)7)44(59)60-10/h16-19,23-28,32,36-39,52H,11-15,20-22H2,1-10H3,(H2,45,55)(H,47,57)(H,48,53)(H,49,54)(H,50,56)(H,51,58)/t27-,28+,32-,36-,37-,38-,39-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	250	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of wild type HIV1 protease dimerization				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156903 ((S)-methyl 2-((2S,3R)-3-hydroxy-2-((2S,3S)-2-(4-(7...) Show SMILES CC[C@H](C)[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)cc2n1)C(=O)N[C@@H]([C@@H](C)O)C(=O)N[C@@H](CC(C)C)C(=O)OC |r| Show InChI InChI=1S/C51H81N7O13/c1-14-32(10)44(48(64)58-45(33(11)59)49(65)54-38(26-29(4)5)50(66)68-12)56-40(61)18-16-24-71-41-22-20-34-19-21-35(27-36(34)52-41)70-23-15-17-39(60)55-42(30(6)7)47(63)53-37(25-28(2)3)46(62)57-43(31(8)9)51(67)69-13/h19-22,27-33,37-38,42-45,59H,14-18,23-26H2,1-13H3,(H,53,63)(H,54,65)(H,55,60)(H,56,61)(H,57,62)(H,58,64)/t32-,33+,37-,38-,42-,43-,44-,45-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156910 ((S)-tert-butyl 5-((S)-1-amino-4-methyl-1-oxopentan...) 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](Cc3ccc(O)cc3)C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C58H86N8O14/c1-33(2)29-43(52(59)71)63-53(72)41(24-26-49(70)80-58(9,10)11)62-54(73)45(31-37-17-21-39(67)22-18-37)60-46(68)15-14-28-79-48-25-20-38-19-23-40(32-42(38)61-48)78-27-13-16-47(69)65-50(35(5)6)56(75)64-44(30-34(3)4)55(74)66-51(36(7)8)57(76)77-12/h17-23,25,32-36,41,43-45,50-51,67H,13-16,24,26-31H2,1-12H3,(H2,59,71)(H,60,68)(H,62,73)(H,63,72)(H,64,75)(H,65,69)(H,66,74)/t41-,43-,44-,45-,50-,51-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	410	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156908 ((S)-tert-butyl 5-((S)-1-amino-4-methyl-1-oxopentan...) 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](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C50H78N6O12/c1-29(2)25-38(45(51)60)53-46(61)37(21-22-42(59)68-50(9,10)11)52-40(57)15-13-23-66-35-19-17-33-18-20-36(28-34(33)27-35)67-24-14-16-41(58)55-43(31(5)6)48(63)54-39(26-30(3)4)47(62)56-44(32(7)8)49(64)65-12/h17-20,27-32,37-39,43-44H,13-16,21-26H2,1-12H3,(H2,51,60)(H,52,57)(H,53,61)(H,54,63)(H,55,58)(H,56,62)/t37-,38-,39-,43-,44-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	420	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 4 (Homo sapiens (Human))	BDBM50174438 (1-[2-(3-amino-4-chloro-2-methoxyphenylcarbonyloxy)...) Show SMILES COc1cc(N)c(Cl)cc1C(=O)OCCN1CCN(CC1)C(=O)CCCCCC(=O)N1CCN(CCOC(=O)c2cc(Cl)c(N)cc2OC)CC1 Show InChI InChI=1S/C35H48Cl2N6O8/c1-48-30-22-28(38)26(36)20-24(30)34(46)50-18-16-40-8-12-42(13-9-40)32(44)6-4-3-5-7-33(45)43-14-10-41(11-15-43)17-19-51-35(47)25-21-27(37)29(39)23-31(25)49-2/h20-23H,3-19,38-39H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	488	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris XI Curated by ChEMBL					Assay Description Binding affinity for 5-HT4 receptor using [3H]-GR-113,808				J Med Chem 48: 6220-8 (2005) Article DOI: 10.1021/jm050234z BindingDB Entry DOI: 10.7270/Q22N51V9
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease G48V/L90M mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50191463 (CHEMBL378467 | methyl (2S)-2-[(2R)-2-[(2S)-2-{4-[(...) Show SMILES COC(=O)[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)[C@@H](NC(=O)CCCOc1ccc2ccc(OCCCC(=O)NC(C(C)C)C(=O)Nc3cccn(CC(N)=O)c3=O)cc2c1)C(C)C)C(C)C Show InChI InChI=1S/C47H67N7O11/c1-27(2)23-36(43(58)53-42(30(7)8)47(62)63-9)50-45(60)41(29(5)6)52-39(57)15-12-22-65-34-19-17-31-16-18-33(24-32(31)25-34)64-21-11-14-38(56)51-40(28(3)4)44(59)49-35-13-10-20-54(46(35)61)26-37(48)55/h10,13,16-20,24-25,27-30,36,40-42H,11-12,14-15,21-23,26H2,1-9H3,(H2,48,55)(H,49,59)(H,50,60)(H,51,56)(H,52,57)(H,53,58)/t36-,40?,41+,42+/m1/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud XI Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease D30N mutant				J Med Chem 49: 4657-64 (2006) Article DOI: 10.1021/jm060576k BindingDB Entry DOI: 10.7270/Q2KD1XJR
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50156904 ((S)-tert-butyl 5-((S)-1-amino-4-methyl-1-oxopentan...) 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](CCC(=O)OC(C)(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O)nc2c1)C(C)C)C(C)C |r| Show InChI InChI=1S/C49H77N7O12/c1-28(2)25-36(44(50)60)53-45(61)34(20-22-41(59)68-49(9,10)11)51-38(57)15-14-24-67-40-21-18-32-17-19-33(27-35(32)52-40)66-23-13-16-39(58)55-42(30(5)6)47(63)54-37(26-29(3)4)46(62)56-43(31(7)8)48(64)65-12/h17-19,21,27-31,34,36-37,42-43H,13-16,20,22-26H2,1-12H3,(H2,50,60)(H,51,57)(H,53,61)(H,54,63)(H,55,58)(H,56,62)/t34-,36-,37-,42-,43-/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	530	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Protease (Human immunodeficiency virus 1 (HIV-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 UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ Paris-Sud 11 Curated by ChEMBL					Assay Description Inhibition of HIV1 protease dimerization expressed in Escherichia coli Rosetta(DE3) using DABCYL-gamma-abu-Ser-Gln-Asn-Tyr-Pro-Ile-Val-Gln-EDANS as s...				J Med Chem 55: 6762-75 (2012) Article DOI: 10.1021/jm300181j BindingDB Entry DOI: 10.7270/Q2125WJF
					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	560	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Université de Paris-Sud Curated by ChEMBL					Assay Description Inhibition of dimerization of HIV1 protease				J Med Chem 47: 6392-400 (2004) Article DOI: 10.1021/jm040833q BindingDB Entry DOI: 10.7270/Q2CV4H7H
					More data for this Ligand-Target Pair
Substance-P receptor (Homo sapiens (Human))	BDBM50097647 ((3,5-Bis-trifluoromethyl-benzyl)-[1-(methylamino-p...) Show SMILES CNC(c1ccccc1)C1(CC1)NCc1cc(cc(c1)C(F)(F)F)C(F)(F)F Show InChI InChI=1S/C20H20F6N2/c1-27-17(14-5-3-2-4-6-14)18(7-8-18)28-12-13-9-15(19(21,22)23)11-16(10-13)20(24,25)26/h2-6,9-11,17,27-28H,7-8,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	620	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratoire de Chimie Thérapeutique associé au CNRS et à l'Université René Descartes (UMR 8638) Curated by ChEMBL					Assay Description Binding affinity towards Tachykinin receptor 1 expressed in CHO cells using [3H]-[Pro9]-SP as radioligand				Bioorg Med Chem Lett 11: 659-61 (2001) BindingDB Entry DOI: 10.7270/Q2CJ8CR0
					More data for this Ligand-Target Pair

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