Compile Data Set for Download or QSAR

Found 154 hits with Last Name = 'arai' and Initial = 'h'   

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
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50276262 (CHEMBL4129609) Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	8.70	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP4 subtype (Homo sapiens (Human))	BDBM50276262 (CHEMBL4129609) Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>2.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Binding affinity to EP4 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP3 subtype (Homo sapiens (Human))	BDBM50276262 (CHEMBL4129609) Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Binding affinity to EP3 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP2 subtype (Homo sapiens (Human))	BDBM50276262 (CHEMBL4129609) Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	>8.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Binding affinity to EP2 receptor (unknown origin)				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50276262 (CHEMBL4129609) Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)C(F)(F)F Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)12-7-6-10-13(9-4-2-1-3-5-9)23-24(14(10)22-12)16-21-11(8-27-16)15(25)26/h1-8H,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.300	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038898 ((S)-1-((S)-1-(2-(2,3-dihydro-1H-inden-2-yl)acetyl)...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)CC1Cc2ccccc2C1 Show InChI InChI=1S/C21H26N2O3/c24-14-18-7-3-9-22(18)21(26)19-8-4-10-23(19)20(25)13-15-11-16-5-1-2-6-17(16)12-15/h1-2,5-6,14-15,18-19H,3-4,7-13H2/t18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.420	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038897 ((S)-1-[(S)-1-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCc2ccccc2C1 Show InChI InChI=1S/C22H28N2O3/c25-15-19-7-3-11-23(19)22(27)20-8-4-12-24(20)21(26)14-16-9-10-17-5-1-2-6-18(17)13-16/h1-2,5-6,15-16,19-20H,3-4,7-14H2/t16-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.450	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038899 ((S)-1-[(R)-3-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1 Show InChI InChI=1S/C21H26N2O3S/c24-12-18-6-3-9-22(18)21(26)19-13-27-14-23(19)20(25)11-15-7-8-16-4-1-2-5-17(16)10-15/h1-2,4-5,12,15,18-19H,3,6-11,13-14H2/t15-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.460	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038891 ((S)-1-[(S)-1-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C22H27N3O2/c23-15-19-7-3-11-24(19)22(27)20-8-4-12-25(20)21(26)14-16-9-10-17-5-1-2-6-18(17)13-16/h1-2,5-6,16,19-20H,3-4,7-14H2/t16-,19-,20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.520	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038893 ((S)-1-[(R)-3-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H25N3O2S/c22-12-18-6-3-9-23(18)21(26)19-13-27-14-24(19)20(25)11-15-7-8-16-4-1-2-5-17(16)10-15/h1-2,4-5,15,18-19H,3,6-11,13-14H2/t15-,18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.550	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50449137 (CHEMBL3127163) Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(cc12)C(F)(F)F Show InChI InChI=1S/C18H10F3N3O2S/c19-18(20,21)11-6-7-12-14(8-11)24(17-22-13(9-27-17)16(25)26)23-15(12)10-4-2-1-3-5-10/h1-9H,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50276250 (CHEMBL4126319) Show SMILES OC(=O)c1csc(n1)-n1nc(C2=CCCCO2)c2ccc(cc12)C(F)(F)F |t:12| Show InChI InChI=1S/C17H12F3N3O3S/c18-17(19,20)9-4-5-10-12(7-9)23(16-21-11(8-27-16)15(24)25)22-14(10)13-3-1-2-6-26-13/h3-5,7-8H,1-2,6H2,(H,24,25)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038868 ((R)-3-[(R)-3-((S)-2-1,2,3,4-Tetrahydro-naphthalen-...) Show SMILES O=C[C@@H]1CSCN1C(=O)[C@@H]1CSCN1C(=O)C[C@H]1CCc2ccccc2C1 Show InChI InChI=1S/C20H24N2O3S2/c23-9-17-10-26-12-21(17)20(25)18-11-27-13-22(18)19(24)8-14-5-6-15-3-1-2-4-16(15)7-14/h1-4,9,14,17-18H,5-8,10-13H2/t14-,17+,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	0.850	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038876 ((S)-1-[(R)-3-(2-Indan-2-yl-acetyl)-thiazolidine-4-...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CSCN1C(=O)CC1Cc2ccccc2C1 Show InChI InChI=1S/C20H24N2O3S/c23-11-17-6-3-7-21(17)20(25)18-12-26-13-22(18)19(24)10-14-8-15-4-1-2-5-16(15)9-14/h1-2,4-5,11,14,17-18H,3,6-10,12-13H2/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038879 ((S)-2-(2-Formyl-pyrrolidine-1-carbonyl)-pyrrolidin...) Show SMILES O=C[C@@H]1CCCN1C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1 |r| Show InChI InChI=1S/C18H22N2O4/c21-12-15-8-4-10-19(15)17(22)16-9-5-11-20(16)18(23)24-13-14-6-2-1-3-7-14/h1-3,6-7,12,15-16H,4-5,8-11,13H2/t15-,16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE PC cid PC sid PDB UniChem Similars	PDB PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair				3D Structure (crystal)
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038885 ((S)-1-[(R)-3-(2-Indan-2-yl-acetyl)-thiazolidine-4-...) Show SMILES O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C20H23N3O2S/c21-11-17-6-3-7-22(17)20(25)18-12-26-13-23(18)19(24)10-14-8-15-4-1-2-5-16(15)9-14/h1-2,4-5,14,17-18H,3,6-10,12-13H2/t17-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038889 ((S)-1-((S)-1-(2-(2,3-dihydro-1H-inden-2-yl)acetyl)...) Show SMILES O=C(CC1Cc2ccccc2C1)N1CCC[C@H]1C(=O)N1CCC[C@H]1C#N Show InChI InChI=1S/C21H25N3O2/c22-14-18-7-3-9-23(18)21(26)19-8-4-10-24(19)20(25)13-15-11-16-5-1-2-6-17(16)12-15/h1-2,5-6,15,18-19H,3-4,7-13H2/t18-,19-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038864 (2-(S)-1,2,3,4-Tetrahydro-naphthalen-2-yl-1-[(R)-4-...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1 Show InChI InChI=1S/C19H24N2O2S2/c22-18(10-14-5-6-15-3-1-2-4-16(15)9-14)21-13-25-11-17(21)19(23)20-7-8-24-12-20/h1-4,14,17H,5-13H2/t14-,17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2.30	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038887 (2-(S)-1,2,3,4-Tetrahydro-naphthalen-2-yl-1-[(R)-2-...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1 Show InChI InChI=1S/C20H26N2O2S/c23-19(13-15-7-8-16-4-1-2-5-17(16)12-15)22-9-3-6-18(22)20(24)21-10-11-25-14-21/h1-2,4-5,15,18H,3,6-14H2/t15-,18+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038895 (1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C20H26N2O2S/c23-19(12-15-7-8-16-5-1-2-6-17(16)11-15)22-14-25-13-18(22)20(24)21-9-3-4-10-21/h1-2,5-6,15,18H,3-4,7-14H2/t15-,18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50275347 (4-(5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-(py...) Show SMILES Oc1ccc(Nc2nc(NCCc3ccncc3)ncc2-c2nnc(o2)C2CC2)cc1 Show InChI InChI=1S/C22H21N7O2/c30-17-5-3-16(4-6-17)26-19-18(21-29-28-20(31-21)15-1-2-15)13-25-22(27-19)24-12-9-14-7-10-23-11-8-14/h3-8,10-11,13,15,30H,1-2,9,12H2,(H2,24,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.80	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged FLT3 (unknown origin) by ELISA				Bioorg Med Chem Lett 18: 5472-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.031 BindingDB Entry DOI: 10.7270/Q2WD40DQ
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50276003 (5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N4-propyl-N...) Show SMILES CCCNc1nc(NCCc2ccncc2)ncc1-c1nnc(o1)C1CC1 Show InChI InChI=1S/C19H23N7O/c1-2-8-21-16-15(18-26-25-17(27-18)14-3-4-14)12-23-19(24-16)22-11-7-13-5-9-20-10-6-13/h5-6,9-10,12,14H,2-4,7-8,11H2,1H3,(H2,21,22,23,24)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4.90	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged FLT3 (unknown origin) by ELISA				Bioorg Med Chem Lett 18: 5472-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.031 BindingDB Entry DOI: 10.7270/Q2WD40DQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038883 (1-[(R)-2-(Pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]...) Show SMILES O=C(C[C@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C21H28N2O2/c24-20(15-16-9-10-17-6-1-2-7-18(17)14-16)23-13-5-8-19(23)21(25)22-11-3-4-12-22/h1-2,6-7,16,19H,3-5,8-15H2/t16-,19+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.40	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038888 (2-Indan-2-yl-1-[(R)-4-(thiazolidine-3-carbonyl)-th...) Show SMILES O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1 Show InChI InChI=1S/C18H22N2O2S2/c21-17(9-13-7-14-3-1-2-4-15(14)8-13)20-12-24-10-16(20)18(22)19-5-6-23-11-19/h1-4,13,16H,5-12H2/t16-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.5	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038866 (2-Indan-2-yl-1-[(R)-2-(thiazolidine-3-carbonyl)-py...) Show SMILES O=C(CC1Cc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1 Show InChI InChI=1S/C19H24N2O2S/c22-18(12-14-10-15-4-1-2-5-16(15)11-14)21-7-3-6-17(21)19(23)20-8-9-24-13-20/h1-2,4-5,14,17H,3,6-13H2/t17-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.70	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038884 (2-Indan-2-yl-1-[(R)-4-(pyrrolidine-1-carbonyl)-thi...) Show SMILES O=C(CC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C19H24N2O2S/c22-18(11-14-9-15-5-1-2-6-16(15)10-14)21-13-24-12-17(21)19(23)20-7-3-4-8-20/h1-2,5-6,14,17H,3-4,7-13H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482699 (CHEMBL1241174) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C157H278N60O33/c1-19-84(12)117(143(246)205-94(46-30-31-65-158)126(229)196-96(49-34-68-184-150(166)167)128(231)198-98(51-36-70-186-152(170)171)130(233)200-100(53-38-72-188-154(174)175)132(235)201-101(54-39-73-189-155(176)177)131(234)199-99(52-37-71-187-153(172)173)129(232)197-97(50-35-69-185-151(168)169)127(230)195-95(48-33-67-183-149(164)165)125(228)194-93(122(161)225)47-32-66-182-148(162)163)214-136(239)102(55-40-74-190-156(178)179)202-141(244)111(79-91-42-26-24-27-43-91)210-135(238)107(60-64-116(223)224)207-144(247)118(85(13)20-2)216-142(245)112(80-92-44-28-25-29-45-92)211-140(243)109(77-82(8)9)209-139(242)108(76-81(6)7)208-134(237)106(58-62-114(160)220)203-133(236)105(57-61-113(159)219)204-138(241)110(78-83(10)11)212-146(249)119(86(14)21-3)215-137(240)103(56-41-75-191-157(180)181)206-145(248)120(87(15)22-4)217-147(250)121(88(16)23-5)213-123(226)89(17)192-124(227)104(193-90(18)218)59-63-115(221)222/h24-29,42-45,81-89,93-112,117-121H,19-23,30-41,46-80,158H2,1-18H3,(H2,159,219)(H2,160,220)(H2,161,225)(H,192,227)(H,193,218)(H,194,228)(H,195,230)(H,196,229)(H,197,232)(H,198,231)(H,199,234)(H,200,233)(H,201,235)(H,202,244)(H,203,236)(H,204,241)(H,205,246)(H,206,248)(H,207,247)(H,208,237)(H,209,242)(H,210,238)(H,211,243)(H,212,249)(H,213,226)(H,214,239)(H,215,240)(H,216,245)(H,217,250)(H,221,222)(H,223,224)(H4,162,163,182)(H4,164,165,183)(H4,166,167,184)(H4,168,169,185)(H4,170,171,186)(H4,172,173,187)(H4,174,175,188)(H4,176,177,189)(H4,178,179,190)(H4,180,181,191)/t84-,85-,86-,87-,88-,89-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-,121-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli after 60 mins				Bioorg Med Chem 18: 6771-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.050 BindingDB Entry DOI: 10.7270/Q23N2661
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50276264 (CHEMBL4128163) Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ncc(cc12)C(F)(F)F Show InChI InChI=1S/C17H9F3N4O2S/c18-17(19,20)10-6-12-14(21-7-10)13(9-4-2-1-3-5-9)23-24(12)16-22-11(8-27-16)15(25)26/h1-8H,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50276265 (CHEMBL4129545) Show SMILES OC(=O)c1csc(Cn2nc(-c3ccccc3)c3ccc(cc23)C(F)(F)F)n1 Show InChI InChI=1S/C19H12F3N3O2S/c20-19(21,22)12-6-7-13-15(8-12)25(9-16-23-14(10-28-16)18(26)27)24-17(13)11-4-2-1-3-5-11/h1-8,10H,9H2,(H,26,27)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50276263 (CHEMBL4129401) Show SMILES CN(C)c1ccc2c(nn(Cc3nc(cs3)C(O)=O)c2n1)-c1ccccc1 Show InChI InChI=1S/C19H17N5O2S/c1-23(2)15-9-8-13-17(12-6-4-3-5-7-12)22-24(18(13)21-15)10-16-20-14(11-27-16)19(25)26/h3-9,11H,10H2,1-2H3,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50276249 (CHEMBL4126167) Show SMILES OC(=O)c1csc(n1)N1N=C(C2CCC(CC12)C(F)(F)F)c1ccccc1 |c:10| Show InChI InChI=1S/C18H16F3N3O2S/c19-18(20,21)11-6-7-12-14(8-11)24(17-22-13(9-27-17)16(25)26)23-15(12)10-4-2-1-3-5-10/h1-5,9,11-12,14H,6-8H2,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	12	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038894 (2-Indan-2-yl-1-[(R)-2-(pyrrolidine-1-carbonyl)-pyr...) Show SMILES O=C(CC1Cc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C20H26N2O2/c23-19(14-15-12-16-6-1-2-7-17(16)13-15)22-11-5-8-18(22)20(24)21-9-3-4-10-21/h1-2,6-7,15,18H,3-5,8-14H2/t18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038896 (1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...) Show SMILES O=C(CC1CCc2sccc2C1)N1CSC[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C18H24N2O2S2/c21-17(10-13-3-4-16-14(9-13)5-8-24-16)20-12-23-11-15(20)18(22)19-6-1-2-7-19/h5,8,13,15H,1-4,6-7,9-12H2/t13?,15-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038886 (2-(R)-1,2,3,4-Tetrahydro-naphthalen-2-yl-1-[(R)-4-...) Show SMILES O=C(C[C@@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCSC1 Show InChI InChI=1S/C19H24N2O2S2/c22-18(10-14-5-6-15-3-1-2-4-16(15)9-14)21-13-25-11-17(21)19(23)20-7-8-24-12-20/h1-4,14,17H,5-13H2/t14-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482700 (CHEMBL1241178) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C153H266N62O33/c1-15-81(9)115(140(245)189-77-112(219)193-91(43-28-62-180-145(160)161)122(227)196-94(45-30-64-182-147(164)165)125(230)198-96(47-32-66-184-149(168)169)127(232)200-98(49-34-68-186-151(172)173)129(234)201-97(48-33-67-185-150(170)171)128(233)199-95(46-31-65-183-148(166)167)126(231)197-93(44-29-63-181-146(162)163)123(228)194-90(119(157)224)42-27-61-179-144(158)159)212-132(237)99(50-35-69-187-152(174)175)202-137(242)107(73-87-37-21-19-22-38-87)209-138(243)109(75-89-76-178-78-190-89)211-143(248)118(84(12)18-4)215-139(244)108(74-88-39-23-20-24-40-88)210-136(241)106(72-80(7)8)208-135(240)105(71-79(5)6)207-131(236)103(53-57-111(156)218)204-130(235)102(52-56-110(155)217)203-124(229)92(41-25-26-60-154)205-141(246)116(82(10)16-2)213-133(238)100(51-36-70-188-153(176)177)206-142(247)117(83(11)17-3)214-134(239)104(55-59-114(222)223)195-120(225)85(13)191-121(226)101(192-86(14)216)54-58-113(220)221/h19-24,37-40,76,78-85,90-109,115-118H,15-18,25-36,41-75,77,154H2,1-14H3,(H2,155,217)(H2,156,218)(H2,157,224)(H,178,190)(H,189,245)(H,191,226)(H,192,216)(H,193,219)(H,194,228)(H,195,225)(H,196,227)(H,197,231)(H,198,230)(H,199,233)(H,200,232)(H,201,234)(H,202,242)(H,203,229)(H,204,235)(H,205,246)(H,206,247)(H,207,236)(H,208,240)(H,209,243)(H,210,241)(H,211,248)(H,212,237)(H,213,238)(H,214,239)(H,215,244)(H,220,221)(H,222,223)(H4,158,159,179)(H4,160,161,180)(H4,162,163,181)(H4,164,165,182)(H4,166,167,183)(H4,168,169,184)(H4,170,171,185)(H4,172,173,186)(H4,174,175,187)(H4,176,177,188)/t81-,82-,83-,84-,85-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,115-,116-,117-,118-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	31	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli after 60 mins				Bioorg Med Chem 18: 6771-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.050 BindingDB Entry DOI: 10.7270/Q23N2661
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50275348 (3-(5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-2-(2-(py...) Show SMILES Oc1cccc(Nc2nc(NCCc3ccncc3)ncc2-c2nnc(o2)C2CC2)c1 Show InChI InChI=1S/C22H21N7O2/c30-17-3-1-2-16(12-17)26-19-18(21-29-28-20(31-21)15-4-5-15)13-25-22(27-19)24-11-8-14-6-9-23-10-7-14/h1-3,6-7,9-10,12-13,15,30H,4-5,8,11H2,(H2,24,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	34	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged FLT3 (unknown origin) by ELISA				Bioorg Med Chem Lett 18: 5472-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.031 BindingDB Entry DOI: 10.7270/Q2WD40DQ
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50276053 (5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N4-methyl-N...) Show SMILES CNc1nc(NCCc2ccncc2)ncc1-c1nnc(o1)C1CC1 Show InChI InChI=1S/C17H19N7O/c1-18-14-13(16-24-23-15(25-16)12-2-3-12)10-21-17(22-14)20-9-6-11-4-7-19-8-5-11/h4-5,7-8,10,12H,2-3,6,9H2,1H3,(H2,18,20,21,22)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged FLT3 (unknown origin) by ELISA				Bioorg Med Chem Lett 18: 5472-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.031 BindingDB Entry DOI: 10.7270/Q2WD40DQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038880 (3-Indan-2-yl-1-[(R)-4-(pyrrolidine-1-carbonyl)-thi...) Show SMILES O=C(CCC1Cc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C20H26N2O2S/c23-19(8-7-15-11-16-5-1-2-6-17(16)12-15)22-14-25-13-18(22)20(24)21-9-3-4-10-21/h1-2,5-6,15,18H,3-4,7-14H2/t18-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038890 (1-[(R)-4-(Pyrrolidine-1-carbonyl)-thiazolidin-3-yl...) Show SMILES O=C(C[C@@H]1CCc2ccccc2C1)N1CSC[C@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C20H26N2O2S/c23-19(12-15-7-8-16-5-1-2-6-17(16)11-15)22-14-25-13-18(22)20(24)21-9-3-4-10-21/h1-2,5-6,15,18H,3-4,7-14H2/t15-,18+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	38	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482160 (CHEMBL1082257) Show SMILES [H][C@](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@]([H])(NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@]([H])(NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@]([H])(NC(=O)[C@@]([H])(NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)([C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C154H269N61O31/c1-19-82(12)115(140(242)189-77-113(219)193-93(45-31-61-180-146(160)161)123(225)195-95(47-33-63-182-148(164)165)125(227)197-97(49-35-65-184-150(168)169)127(229)199-99(51-37-67-186-152(172)173)129(231)200-98(50-36-66-185-151(170)171)128(230)198-96(48-34-64-183-149(166)167)126(228)196-94(46-32-62-181-147(162)163)124(226)194-92(120(157)222)44-30-60-179-145(158)159)212-132(234)100(52-38-68-187-153(174)175)201-137(239)108(73-89-40-26-24-27-41-89)207-138(240)110(75-91-76-178-78-190-91)210-143(245)117(84(14)21-3)214-139(241)109(74-90-42-28-25-29-43-90)208-136(238)106(71-80(8)9)206-135(237)105(70-79(6)7)205-131(233)104(55-58-112(156)218)202-130(232)103(54-57-111(155)217)203-134(236)107(72-81(10)11)209-142(244)116(83(13)20-2)213-133(235)101(53-39-69-188-154(176)177)204-141(243)118(85(15)22-4)215-144(246)119(86(16)23-5)211-121(223)87(17)191-122(224)102(192-88(18)216)56-59-114(220)221/h24-29,40-43,76,78-87,92-110,115-119H,19-23,30-39,44-75,77H2,1-18H3,(H2,155,217)(H2,156,218)(H2,157,222)(H,178,190)(H,189,242)(H,191,224)(H,192,216)(H,193,219)(H,194,226)(H,195,225)(H,196,228)(H,197,227)(H,198,230)(H,199,229)(H,200,231)(H,201,239)(H,202,232)(H,203,236)(H,204,243)(H,205,233)(H,206,237)(H,207,240)(H,208,238)(H,209,244)(H,210,245)(H,211,223)(H,212,234)(H,213,235)(H,214,241)(H,215,246)(H,220,221)(H4,158,159,179)(H4,160,161,180)(H4,162,163,181)(H4,164,165,182)(H4,166,167,183)(H4,168,169,184)(H4,170,171,185)(H4,172,173,186)(H4,174,175,187)(H4,176,177,188)/t82-,83-,84-,85-,86-,87-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,115-,116-,117-,118-,119-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli after 60 mins				Bioorg Med Chem 18: 6771-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.050 BindingDB Entry DOI: 10.7270/Q23N2661
					More data for this Ligand-Target Pair
Prostaglandin E2 receptor EP1 subtype (Homo sapiens (Human))	BDBM50276266 (CHEMBL4126096) Show SMILES OC(=O)c1csc(n1)-n1nc(-c2ccccc2)c2ccc(nc12)N1CCC1 Show InChI InChI=1S/C19H15N5O2S/c25-18(26)14-11-27-19(20-14)24-17-13(7-8-15(21-17)23-9-4-10-23)16(22-24)12-5-2-1-3-6-12/h1-3,5-8,11H,4,9-10H2,(H,25,26)	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Asahi Kasei Pharma Corporation Curated by ChEMBL					Assay Description Antagonist activity at EP1 receptor (unknown origin) by reporter gene assay				Bioorg Med Chem Lett 28: 2408-2412 (2018) Article DOI: 10.1016/j.bmcl.2018.06.022 BindingDB Entry DOI: 10.7270/Q2T72KZT
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038873 (2-(R)-1,2,3,4-Tetrahydro-naphthalen-2-yl-1-[(R)-2-...) Show SMILES O=C(C[C@@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCSC1 Show InChI InChI=1S/C20H26N2O2S/c23-19(13-15-7-8-16-4-1-2-5-17(16)12-15)22-9-3-6-18(22)20(24)21-10-11-25-14-21/h1-2,4-5,15,18H,3,6-14H2/t15-,18-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482700 (CHEMBL1241178) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C153H266N62O33/c1-15-81(9)115(140(245)189-77-112(219)193-91(43-28-62-180-145(160)161)122(227)196-94(45-30-64-182-147(164)165)125(230)198-96(47-32-66-184-149(168)169)127(232)200-98(49-34-68-186-151(172)173)129(234)201-97(48-33-67-185-150(170)171)128(233)199-95(46-31-65-183-148(166)167)126(231)197-93(44-29-63-181-146(162)163)123(228)194-90(119(157)224)42-27-61-179-144(158)159)212-132(237)99(50-35-69-187-152(174)175)202-137(242)107(73-87-37-21-19-22-38-87)209-138(243)109(75-89-76-178-78-190-89)211-143(248)118(84(12)18-4)215-139(244)108(74-88-39-23-20-24-40-88)210-136(241)106(72-80(7)8)208-135(240)105(71-79(5)6)207-131(236)103(53-57-111(156)218)204-130(235)102(52-56-110(155)217)203-124(229)92(41-25-26-60-154)205-141(246)116(82(10)16-2)213-133(238)100(51-36-70-188-153(176)177)206-142(247)117(83(11)17-3)214-134(239)104(55-59-114(222)223)195-120(225)85(13)191-121(226)101(192-86(14)216)54-58-113(220)221/h19-24,37-40,76,78-85,90-109,115-118H,15-18,25-36,41-75,77,154H2,1-14H3,(H2,155,217)(H2,156,218)(H2,157,224)(H,178,190)(H,189,245)(H,191,226)(H,192,216)(H,193,219)(H,194,228)(H,195,225)(H,196,227)(H,197,231)(H,198,230)(H,199,233)(H,200,232)(H,201,234)(H,202,242)(H,203,229)(H,204,235)(H,205,246)(H,206,247)(H,207,236)(H,208,240)(H,209,243)(H,210,241)(H,211,248)(H,212,237)(H,213,238)(H,214,239)(H,215,244)(H,220,221)(H,222,223)(H4,158,159,179)(H4,160,161,180)(H4,162,163,181)(H4,164,165,182)(H4,166,167,183)(H4,168,169,184)(H4,170,171,185)(H4,172,173,186)(H4,174,175,187)(H4,176,177,188)/t81-,82-,83-,84-,85-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,115-,116-,117-,118-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	40	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-processing activity expressed in Escherichia coli after 60 mins				Bioorg Med Chem 18: 6771-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.050 BindingDB Entry DOI: 10.7270/Q23N2661
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482714 (CHEMBL1241175) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CCC(O)=O)NC(=O)[C@H](CCC(O)=O)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C156H272N62O33/c1-16-84(11)118(143(248)192-79-115(222)195-93(44-29-63-183-148(163)164)123(228)198-96(46-31-65-185-150(167)168)125(230)200-98(48-33-67-187-152(171)172)127(232)202-100(50-35-69-189-154(175)176)129(234)203-99(49-34-68-188-153(173)174)128(233)201-97(47-32-66-186-151(169)170)126(231)199-95(45-30-64-184-149(165)166)124(229)196-92(122(160)227)43-28-62-182-147(161)162)215-135(240)102(52-37-71-191-156(179)180)204-140(245)110(75-89-38-22-20-23-39-89)212-141(246)112(77-91-78-181-80-193-91)214-145(250)119(85(12)17-2)217-142(247)111(76-90-40-24-21-25-41-90)213-139(244)109(74-83(9)10)211-138(243)108(73-82(7)8)210-134(239)105(54-58-114(159)221)205-133(238)104(53-57-113(158)220)207-137(242)107(72-81(5)6)209-131(236)94(42-26-27-61-157)197-130(235)101(51-36-70-190-155(177)178)208-144(249)120(86(13)18-3)218-146(251)121(87(14)19-4)216-136(241)106(56-60-117(225)226)206-132(237)103(194-88(15)219)55-59-116(223)224/h20-25,38-41,78,80-87,92-112,118-121H,16-19,26-37,42-77,79,157H2,1-15H3,(H2,158,220)(H2,159,221)(H2,160,227)(H,181,193)(H,192,248)(H,194,219)(H,195,222)(H,196,229)(H,197,235)(H,198,228)(H,199,231)(H,200,230)(H,201,233)(H,202,232)(H,203,234)(H,204,245)(H,205,238)(H,206,237)(H,207,242)(H,208,249)(H,209,236)(H,210,239)(H,211,243)(H,212,246)(H,213,244)(H,214,250)(H,215,240)(H,216,241)(H,217,247)(H,218,251)(H,223,224)(H,225,226)(H4,161,162,182)(H4,163,164,183)(H4,165,166,184)(H4,167,168,185)(H4,169,170,186)(H4,171,172,187)(H4,173,174,188)(H4,175,176,189)(H4,177,178,190)(H4,179,180,191)/t84-,85-,86-,87-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,118-,119-,120-,121-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli after 60 mins				Bioorg Med Chem 18: 6771-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.050 BindingDB Entry DOI: 10.7270/Q23N2661
					More data for this Ligand-Target Pair
Receptor-type tyrosine-protein kinase FLT3 (Homo sapiens (Human))	BDBM50276056 (5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N4-phenyl-N...) Show SMILES C(Cc1ccncc1)Nc1ncc(-c2nnc(o2)C2CC2)c(Nc2ccccc2)n1 Show InChI InChI=1S/C22H21N7O/c1-2-4-17(5-3-1)26-19-18(21-29-28-20(30-21)16-6-7-16)14-25-22(27-19)24-13-10-15-8-11-23-12-9-15/h1-5,8-9,11-12,14,16H,6-7,10,13H2,(H2,24,25,26,27)	PDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	47	n/a	n/a	n/a	n/a	n/a	n/a
Kyowa Hakko Kogyo Co., Ltd Curated by ChEMBL					Assay Description Inhibition of GST-tagged FLT3 (unknown origin) by ELISA				Bioorg Med Chem Lett 18: 5472-7 (2008) Article DOI: 10.1016/j.bmcl.2008.09.031 BindingDB Entry DOI: 10.7270/Q2WD40DQ
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50038871 (1-[(R)-2-(Pyrrolidine-1-carbonyl)-pyrrolidin-1-yl]...) Show SMILES O=C(C[C@@H]1CCc2ccccc2C1)N1CCC[C@@H]1C(=O)N1CCCC1 Show InChI InChI=1S/C21H28N2O2/c24-20(15-16-9-10-17-6-1-2-7-18(17)14-16)23-13-5-8-19(23)21(25)22-11-3-4-12-22/h1-2,6-7,16,19H,3-5,8-15H2/t16-,19-/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	48	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Prolyl endopeptidase (Homo sapiens (Human))	BDBM50051539 ((S)-4-phenyl-1-(2-(pyrrolidine-1-carbonyl)pyrrolid...) Show SMILES O=C(CCCc1ccccc1)N1CCC[C@H]1C(=O)N1CCCC1 |r| Show InChI InChI=1S/C19H26N2O2/c22-18(12-6-10-16-8-2-1-3-9-16)21-15-7-11-17(21)19(23)20-13-4-5-14-20/h1-3,8-9,17H,4-7,10-15H2/t17-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	49	n/a	n/a	n/a	n/a	n/a	n/a
Zeria Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against purified prolyl endopeptidase (PEP) from canine brain.				J Med Chem 37: 2071-8 (1994) BindingDB Entry DOI: 10.7270/Q270822J
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482698 (CHEMBL1241173) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@H](CCCNC(N)=N)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](C)NC(C)=O)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C149H262N60O28/c1-19-80(12)111(135(233)184-75-110(213)187-91(45-31-59-175-141(155)156)118(216)189-93(47-33-61-177-143(159)160)120(218)191-95(49-35-63-179-145(163)164)122(220)193-97(51-37-65-181-147(167)168)124(222)194-96(50-36-64-180-146(165)166)123(221)192-94(48-34-62-178-144(161)162)121(219)190-92(46-32-60-176-142(157)158)119(217)188-90(116(152)214)44-30-58-174-140(153)154)206-127(225)98(52-38-66-182-148(169)170)195-132(230)105(71-87-40-26-24-27-41-87)201-133(231)107(73-89-74-173-76-185-89)204-138(236)113(82(14)21-3)208-134(232)106(72-88-42-28-25-29-43-88)202-131(229)103(69-78(8)9)200-130(228)102(68-77(6)7)199-126(224)101(55-57-109(151)212)196-125(223)100(54-56-108(150)211)197-129(227)104(70-79(10)11)203-137(235)112(81(13)20-2)207-128(226)99(53-39-67-183-149(171)172)198-136(234)114(83(15)22-4)209-139(237)115(84(16)23-5)205-117(215)85(17)186-86(18)210/h24-29,40-43,74,76-85,90-107,111-115H,19-23,30-39,44-73,75H2,1-18H3,(H2,150,211)(H2,151,212)(H2,152,214)(H,173,185)(H,184,233)(H,186,210)(H,187,213)(H,188,217)(H,189,216)(H,190,219)(H,191,218)(H,192,221)(H,193,220)(H,194,222)(H,195,230)(H,196,223)(H,197,227)(H,198,234)(H,199,224)(H,200,228)(H,201,231)(H,202,229)(H,203,235)(H,204,236)(H,205,215)(H,206,225)(H,207,226)(H,208,232)(H,209,237)(H4,153,154,174)(H4,155,156,175)(H4,157,158,176)(H4,159,160,177)(H4,161,162,178)(H4,163,164,179)(H4,165,166,180)(H4,167,168,181)(H4,169,170,182)(H4,171,172,183)/t80-,81-,82-,83-,84-,85-,90-,91-,92-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,111-,112-,113-,114-,115-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli after 60 mins				Bioorg Med Chem 18: 6771-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.050 BindingDB Entry DOI: 10.7270/Q23N2661
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482710 (CHEMBL1241189) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CC(C)C)NC(C)=O)[C@@H](C)CC)C(=O)NCC(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C119H205N49O23/c1-13-65(9)91(167-94(174)67(11)150-104(184)85(56-69-29-17-15-18-30-69)164-108(188)87(58-71-59-139-61-149-71)166-111(191)92(66(10)14-2)168-109(189)86(57-70-31-19-16-20-32-70)165-107(187)84(55-64(7)8)163-106(186)83(54-63(5)6)162-103(183)81(42-44-89(121)171)160-102(182)80(41-43-88(120)170)161-105(185)82(53-62(3)4)151-68(12)169)110(190)148-60-90(172)152-73(34-22-46-141-113(125)126)95(175)154-75(36-24-48-143-115(129)130)97(177)156-77(38-26-50-145-117(133)134)99(179)158-79(40-28-52-147-119(137)138)101(181)159-78(39-27-51-146-118(135)136)100(180)157-76(37-25-49-144-116(131)132)98(178)155-74(35-23-47-142-114(127)128)96(176)153-72(93(122)173)33-21-45-140-112(123)124/h15-20,29-32,59,61-67,72-87,91-92H,13-14,21-28,33-58,60H2,1-12H3,(H2,120,170)(H2,121,171)(H2,122,173)(H,139,149)(H,148,190)(H,150,184)(H,151,169)(H,152,172)(H,153,176)(H,154,175)(H,155,178)(H,156,177)(H,157,180)(H,158,179)(H,159,181)(H,160,182)(H,161,185)(H,162,183)(H,163,186)(H,164,188)(H,165,187)(H,166,191)(H,167,174)(H,168,189)(H4,123,124,140)(H4,125,126,141)(H4,127,128,142)(H4,129,130,143)(H4,131,132,144)(H4,133,134,145)(H4,135,136,146)(H4,137,138,147)/t65-,66-,67-,72-,73-,74-,75-,76-,77-,78-,79-,80-,81-,82-,83-,84-,85-,86-,87-,91-,92-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase strand transfer activity expressed in Escherichia coli after 60 mins				Bioorg Med Chem 18: 6771-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.050 BindingDB Entry DOI: 10.7270/Q23N2661
					More data for this Ligand-Target Pair
Integrase (Human immunodeficiency virus 1)	BDBM50482699 (CHEMBL1241174) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(O)=O)NC(C)=O)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(O)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(=O)N[C@@H](CCCNC(N)=N)C(N)=O |r| Show InChI InChI=1S/C157H278N60O33/c1-19-84(12)117(143(246)205-94(46-30-31-65-158)126(229)196-96(49-34-68-184-150(166)167)128(231)198-98(51-36-70-186-152(170)171)130(233)200-100(53-38-72-188-154(174)175)132(235)201-101(54-39-73-189-155(176)177)131(234)199-99(52-37-71-187-153(172)173)129(232)197-97(50-35-69-185-151(168)169)127(230)195-95(48-33-67-183-149(164)165)125(228)194-93(122(161)225)47-32-66-182-148(162)163)214-136(239)102(55-40-74-190-156(178)179)202-141(244)111(79-91-42-26-24-27-43-91)210-135(238)107(60-64-116(223)224)207-144(247)118(85(13)20-2)216-142(245)112(80-92-44-28-25-29-45-92)211-140(243)109(77-82(8)9)209-139(242)108(76-81(6)7)208-134(237)106(58-62-114(160)220)203-133(236)105(57-61-113(159)219)204-138(241)110(78-83(10)11)212-146(249)119(86(14)21-3)215-137(240)103(56-41-75-191-157(180)181)206-145(248)120(87(15)22-4)217-147(250)121(88(16)23-5)213-123(226)89(17)192-124(227)104(193-90(18)218)59-63-115(221)222/h24-29,42-45,81-89,93-112,117-121H,19-23,30-41,46-80,158H2,1-18H3,(H2,159,219)(H2,160,220)(H2,161,225)(H,192,227)(H,193,218)(H,194,228)(H,195,230)(H,196,229)(H,197,232)(H,198,231)(H,199,234)(H,200,233)(H,201,235)(H,202,244)(H,203,236)(H,204,241)(H,205,246)(H,206,248)(H,207,247)(H,208,237)(H,209,242)(H,210,238)(H,211,243)(H,212,249)(H,213,226)(H,214,239)(H,215,240)(H,216,245)(H,217,250)(H,221,222)(H,223,224)(H4,162,163,182)(H4,164,165,183)(H4,166,167,184)(H4,168,169,185)(H4,170,171,186)(H4,172,173,187)(H4,174,175,188)(H4,176,177,189)(H4,178,179,190)(H4,180,181,191)/t84-,85-,86-,87-,88-,89-,93-,94-,95-,96-,97-,98-,99-,100-,101-,102-,103-,104-,105-,106-,107-,108-,109-,110-,111-,112-,117-,118-,119-,120-,121-/m0/s1	PDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Tokyo Medical and Dental University Curated by ChEMBL					Assay Description Inhibition of HIV1 integrase 3'-processing activity expressed in Escherichia coli after 60 mins				Bioorg Med Chem 18: 6771-5 (2010) Article DOI: 10.1016/j.bmc.2010.07.050 BindingDB Entry DOI: 10.7270/Q23N2661
					More data for this Ligand-Target Pair

Displayed 1 to 50 (of 154 total )  |  Next  |  Last  >>

Jump to: