Compile Data Set for Download or QSAR

Found 667 hits with Last Name = 'schuler' and Initial = 'f'   

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
Histamine H3 receptor (Homo sapiens (Human))	BDBM50247054 (6-(3-cyclobutyl-2,3,4,5-tetrahydro-1H-benzo[d]azep...) Show SMILES CNC(=O)c1ccc(Oc2ccc3CCN(CCc3c2)C2CCC2)nc1 Show InChI InChI=1S/C21H25N3O2/c1-22-21(25)17-6-8-20(23-14-17)26-19-7-5-15-9-11-24(18-3-2-4-18)12-10-16(15)13-19/h5-8,13-14,18H,2-4,9-12H2,1H3,(H,22,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Cannabinoid receptor 2 (Homo sapiens (Human))	BDBM50429823 (CHEMBL2338173) Show SMILES O=C(NC12CC3CC(CC(C3)C1)C2)c1nn(CCN2CCOCC2)c2ccccc12 |TLB:2:3:6:10.9.8,THB:4:5:8:12.3.11,4:3:6.5.10:8,11:3:6:10.9.8,11:9:6:12.4.3| Show InChI InChI=1S/C24H32N4O2/c29-23(25-24-14-17-11-18(15-24)13-19(12-17)16-24)22-20-3-1-2-4-21(20)28(26-22)6-5-27-7-9-30-10-8-27/h1-4,17-19H,5-16H2,(H,25,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Binding affinity to CB2 receptor (unknown origin)				Bioorg Med Chem Lett 23: 1177-81 (2013) Article DOI: 10.1016/j.bmcl.2013.01.044 BindingDB Entry DOI: 10.7270/Q2M32X3H
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50247053 (1-(3-(3-(4-chlorophenyl)propoxy)propyl)piperidine ...) Show SMILES Clc1ccc(CCCOCCCN2CCCCC2)cc1 Show InChI InChI=1S/C17H26ClNO/c18-17-9-7-16(8-10-17)6-4-14-20-15-5-13-19-11-2-1-3-12-19/h7-10H,1-6,11-15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Antagonist activity at human histamine H3 receptor expressed in HEK293 cells by [35S]gammaS binding assay				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50268293 ((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...) Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50268291 ((1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H31Cl2F2N3O2/c1-18(2)33-11-7-21(8-12-33)37-22-4-6-25-19(15-22)16-26(27(36)34-13-9-28(31,32)10-14-34)35(25)20-3-5-23(29)24(30)17-20/h3-6,15-18,21H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	0.300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50268323 ((5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifl...) Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CC3)ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)15-29-20-4-3-19(32-18-5-7-27(8-6-18)17-1-2-17)13-16(20)14-21(29)22(30)28-9-11-31-12-10-28/h3-4,13-14,17-18H,1-2,5-12,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50139391 ((R)-4-(2-(2-(2-methylpyrrolidin-1-yl)ethyl)benzofu...) Show SMILES C[C@@H]1CCCN1CCc1cc2cc(ccc2o1)-c1ccc(cc1)C#N |r| Show InChI InChI=1S/C22H22N2O/c1-16-3-2-11-24(16)12-10-21-14-20-13-19(8-9-22(20)25-21)18-6-4-17(15-23)5-7-18/h4-9,13-14,16H,2-3,10-12H2,1H3/t16-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50077223 (CHEMBL3416881) Show SMILES CN(C)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 Show InChI InChI=1S/C25H26ClN3O3/c1-27(2)23(30)15-29-14-20(19-8-7-18(26)13-22(19)29)24(31)28-11-9-25(10-12-28)21-6-4-3-5-17(21)16-32-25/h3-8,13-14H,9-12,15-16H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50159110 (1-(3-(4-(piperidin-1-ylmethyl)phenoxy)propyl)piper...) Show SMILES C(COc1ccc(CN2CCCCC2)cc1)CN1CCCCC1 Show InChI InChI=1S/C20H32N2O/c1-3-12-21(13-4-1)16-7-17-23-20-10-8-19(9-11-20)18-22-14-5-2-6-15-22/h8-11H,1-7,12-18H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	0.600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50077217 (CHEMBL3416885) Show SMILES CN(C)CCn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 Show InChI InChI=1S/C25H28ClN3O2/c1-27(2)13-14-29-16-21(20-8-7-19(26)15-23(20)29)24(30)28-11-9-25(10-12-28)22-6-4-3-5-18(22)17-31-25/h3-8,15-16H,9-14,17H2,1-2H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50077221 (CHEMBL3416883) Show SMILES CN1CCC[C@H]1Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C27H30ClN3O2/c1-29-12-4-6-21(29)16-31-17-23(22-9-8-20(28)15-25(22)31)26(32)30-13-10-27(11-14-30)24-7-3-2-5-19(24)18-33-27/h2-3,5,7-9,15,17,21H,4,6,10-14,16,18H2,1H3/t21-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50077452 (CHEMBL3416868) Show SMILES CN1CCN(CC1)C(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 Show InChI InChI=1S/C28H31ClN4O3/c1-30-12-14-31(15-13-30)26(34)18-33-17-23(22-7-6-21(29)16-25(22)33)27(35)32-10-8-28(9-11-32)24-5-3-2-4-20(24)19-36-28/h2-7,16-17H,8-15,18-19H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair
Metabotropic glutamate receptor 5 (Homo sapiens (Human))	BDBM50181073 (2-(3-chloro-benzyloxy)-6-methyl-isonicotinonitrile...) Show SMILES Cc1cc(cc(OCc2cccc(Cl)c2)n1)C#N Show InChI InChI=1S/C14H11ClN2O/c1-10-5-12(8-16)7-14(17-10)18-9-11-3-2-4-13(15)6-11/h2-7H,9H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffman-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]MPEP from recombinant human mGlu5 receptor				Bioorg Med Chem Lett 16: 1892-7 (2006) Article DOI: 10.1016/j.bmcl.2005.12.088 BindingDB Entry DOI: 10.7270/Q2ZG6RT8
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263570 (CHEMBL4066422) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4ccccc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23| Show InChI InChI=1S/C28H24ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h1-8,13,15-16,23H,9-12,14H2,(H,31,33)(H,32,34)/b4-3+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268291 ((1-(3,4-dichlorophenyl)-5-(1-isopropylpiperidin-4-...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)-c1ccc(Cl)c(Cl)c1 Show InChI InChI=1S/C28H31Cl2F2N3O2/c1-18(2)33-11-7-21(8-12-33)37-22-4-6-25-19(15-22)16-26(27(36)34-13-9-28(31,32)10-14-34)35(25)20-3-5-23(29)24(30)17-20/h3-6,15-18,21H,7-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268293 ((5-(1-cyclobutylpiperidin-4-yloxy)-1-(2,2,2-triflu...) Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CCC3)ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C24H30F3N3O3/c25-24(26,27)16-30-21-5-4-20(33-19-6-8-28(9-7-19)18-2-1-3-18)14-17(21)15-22(30)23(31)29-10-12-32-13-11-29/h4-5,14-15,18-19H,1-3,6-13,16H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50269053 ((5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluo...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H30F3N3O3/c1-16(2)27-7-5-18(6-8-27)32-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-31-12-10-28/h3-4,13-14,16,18H,5-12,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50269054 ((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C24H30F5N3O2/c1-16(2)30-9-5-18(6-10-30)34-19-3-4-20-17(13-19)14-21(32(20)15-24(27,28)29)22(33)31-11-7-23(25,26)8-12-31/h3-4,13-14,16,18H,5-12,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263570 (CHEMBL4066422) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4ccccc4cc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:23| Show InChI InChI=1S/C28H24ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h1-8,13,15-16,23H,9-12,14H2,(H,31,33)(H,32,34)/b4-3+/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50077222 (CHEMBL3416882) Show SMILES Clc1ccc2c(cn(C[C@@H]3CCCN3)c2c1)C(=O)N1CCC2(CC1)OCc1ccccc21 |r| Show InChI InChI=1S/C26H28ClN3O2/c27-19-7-8-21-22(16-30(24(21)14-19)15-20-5-3-11-28-20)25(31)29-12-9-26(10-13-29)23-6-2-1-4-18(23)17-32-26/h1-2,4,6-8,14,16,20,28H,3,5,9-13,15,17H2/t20-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50077310 (CHEMBL3416869) Show SMILES CN(C)CCNC(=O)Cn1cc(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccc(Cl)cc12 Show InChI InChI=1S/C27H31ClN4O3/c1-30(2)14-11-29-25(33)17-32-16-22(21-8-7-20(28)15-24(21)32)26(34)31-12-9-27(10-13-31)23-6-4-3-5-19(23)18-35-27/h3-8,15-16H,9-14,17-18H2,1-2H3,(H,29,33)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268997 ((4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperi...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-9-5-17(6-10-26)29-18-3-4-19-16(13-18)14-20(25-19)21(28)27-11-7-22(23,24)8-12-27/h3-4,13-15,17,25H,5-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50077213 (CHEMBL3416860) Show SMILES Cc1c(C(=O)N2CCC3(CC2)OCc2ccccc32)c2ccccc2n1Cc1ccccc1 Show InChI InChI=1S/C29H28N2O2/c1-21-27(24-12-6-8-14-26(24)31(21)19-22-9-3-2-4-10-22)28(32)30-17-15-29(16-18-30)25-13-7-5-11-23(25)20-33-29/h2-14H,15-20H2,1H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H]-vasopressin from human vasopressin 1a receptor expressed in HEK293 cell membranes after 1 hr by scintillation proximity assay				J Med Chem 58: 2275-89 (2015) Article DOI: 10.1021/jm501745f BindingDB Entry DOI: 10.7270/Q2JW8GK0
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268996 ((3,3-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCCC(F)(F)C1 Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-10-6-17(7-11-26)29-18-4-5-19-16(12-18)13-20(25-19)21(28)27-9-3-8-22(23,24)14-27/h4-5,12-13,15,17,25H,3,6-11,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268947 ((5-(1-cyclopropylpiperidin-4-yloxy)-1H-indol-2-yl)...) Show SMILES O=C(N1CCOCC1)c1cc2cc(OC3CCN(CC3)C3CC3)ccc2[nH]1 Show InChI InChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50370569 (A-349,821 | A-349821) Show SMILES C[C@H]1CC[C@H](C)N1CCCOc1ccc(cc1)-c1ccc(cc1)C(=O)N1CCOCC1 Show InChI InChI=1S/C26H34N2O3/c1-20-4-5-21(2)28(20)14-3-17-31-25-12-10-23(11-13-25)22-6-8-24(9-7-22)26(29)27-15-18-30-19-16-27/h6-13,20-21H,3-5,14-19H2,1-2H3/t20-,21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268815 ((R)-4'-(3-(3-(dimethylamino)pyrrolidin-1-yl)propox...) Show SMILES CN(C)[C@@H]1CCN(CCCOc2c(F)cc(cc2F)-c2ccc(cc2)C#N)C1 |r| Show InChI InChI=1S/C22H25F2N3O/c1-26(2)19-8-10-27(15-19)9-3-11-28-22-20(23)12-18(13-21(22)24)17-6-4-16(14-25)5-7-17/h4-7,12-13,19H,3,8-11,15H2,1-2H3/t19-/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Binding affinity to histamine H3 receptor				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263634 (CHEMBL4073014) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H17Cl2FN6O2/c23-16-6-1-13(9-17(16)24)10-18(21(33)29-22(12-26)7-8-22)28-20(32)19-11-27-31(30-19)15-4-2-14(25)3-5-15/h1-6,9,11,18H,7-8,10H2,(H,28,32)(H,29,33)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263572 (CHEMBL4092050) Show SMILES Fc1ccc(cc1)-c1ccc2OC\C=C\COc3ccc(C[C@H](NC(=O)c2c1)C(=O)NC1(CC1)C#N)cc3Cl |r,t:14| Show InChI InChI=1S/C30H25ClFN3O4/c31-24-15-19-3-9-27(24)39-14-2-1-13-38-26-10-6-21(20-4-7-22(32)8-5-20)17-23(26)28(36)34-25(16-19)29(37)35-30(18-33)11-12-30/h1-10,15,17,25H,11-14,16H2,(H,34,36)(H,35,37)/b2-1+/t25-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269098 ((4,4-difluoropiperidin-1-yl)(1-(4-fluorophenylsulf...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(=O)(=O)c1ccc(F)cc1 Show InChI InChI=1S/C28H32F3N3O4S/c1-19(2)32-13-9-22(10-14-32)38-23-5-8-25-20(17-23)18-26(27(35)33-15-11-28(30,31)12-16-33)34(25)39(36,37)24-6-3-21(29)4-7-24/h3-8,17-19,22H,9-16H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268323 ((5-(1-cyclopropylpiperidin-4-yloxy)-1-(2,2,2-trifl...) Show SMILES FC(F)(F)Cn1c(cc2cc(OC3CCN(CC3)C3CC3)ccc12)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H28F3N3O3/c24-23(25,26)15-29-20-4-3-19(32-18-5-7-27(8-6-18)17-1-2-17)13-16(20)14-21(29)22(30)28-9-11-31-12-10-28/h3-4,13-14,17-18H,1-2,5-12,15H2	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50268451 (2-(ethoxycarbonyl)-1H-indole-5-carboxylic acid | C...) Show SMILES CCOC(=O)c1cc2cc(ccc2[nH]1)C(O)=O Show InChI InChI=1S/C12H11NO4/c1-2-17-12(16)10-6-8-5-7(11(14)15)3-4-9(8)13-10/h3-6,13H,2H2,1H3,(H,14,15)	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50268947 ((5-(1-cyclopropylpiperidin-4-yloxy)-1H-indol-2-yl)...) Show SMILES O=C(N1CCOCC1)c1cc2cc(OC3CCN(CC3)C3CC3)ccc2[nH]1 Show InChI InChI=1S/C21H27N3O3/c25-21(24-9-11-26-12-10-24)20-14-15-13-18(3-4-19(15)22-20)27-17-5-7-23(8-6-17)16-1-2-16/h3-4,13-14,16-17,22H,1-2,5-12H2	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50269099 (2-(2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-isop...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC#N)c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C24H30F2N4O2/c1-17(2)28-10-5-19(6-11-28)32-20-3-4-21-18(15-20)16-22(30(21)14-9-27)23(31)29-12-7-24(25,26)8-13-29/h3-4,15-17,19H,5-8,10-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269055 ((4,4-Difluoropiperidin-1-yl)[1-isopropyl-5-(1-isop...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(C(C)C)c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C25H35F2N3O2/c1-17(2)28-11-7-20(8-12-28)32-21-5-6-22-19(15-21)16-23(30(22)18(3)4)24(31)29-13-9-25(26,27)10-14-29/h5-6,15-18,20H,7-14H2,1-4H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-RAMH from human histamine H3 receptor				Bioorg Med Chem Lett 20: 5713-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50327479 ((S)-7-bromo-2-(cyclopropylmethyl)-8-(1-isopropylpi...) Show SMILES CC(C)N1CCC(CC1)Oc1cc2cc3C(=O)N(CC4CC4)C[C@H](C)n3c2cc1Br |r| Show InChI InChI=1S/C24H32BrN3O2/c1-15(2)26-8-6-19(7-9-26)30-23-11-18-10-22-24(29)27(14-17-4-5-17)13-16(3)28(22)21(18)12-20(23)25/h10-12,15-17,19H,4-9,13-14H2,1-3H3/t16-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
F Hoffmann-La Roche Ltd Curated by ChEMBL					Assay Description Displacement of [3H]-RAMH from human histamine H3 receptor				Bioorg Med Chem Lett 20: 5713-7 (2010) Article DOI: 10.1016/j.bmcl.2010.08.009 BindingDB Entry DOI: 10.7270/Q2571C7N
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263577 (CHEMBL4099651) Show SMILES CC(C)(C)c1cc2nn1CC\C=C\COc1ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc1Cl |r,t:12| Show InChI InChI=1S/C26H30ClN5O3/c1-25(2,3)22-15-20-23(33)29-19(24(34)30-26(16-28)9-10-26)14-17-7-8-21(18(27)13-17)35-12-6-4-5-11-32(22)31-20/h4,6-8,13,15,19H,5,9-12,14H2,1-3H3,(H,29,33)(H,30,34)/b6-4+/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM210850 (US9290467, 20) Show SMILES FC(F)(F)c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:11| Show InChI InChI=1S/C25H21ClF3N3O4/c26-18-11-15-3-6-20(18)35-9-1-2-10-36-21-13-16(25(27,28)29)4-5-17(21)22(33)31-19(12-15)23(34)32-24(14-30)7-8-24/h1-6,11,13,19H,7-10,12H2,(H,31,33)(H,32,34)/b2-1+/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM210854 (US9290467, 24 | US9290467, 25 | US9290467, 26) Show SMILES Ic1cc2C[C@H](NC(=O)c3ccccc3OC\C=C\COc1cc2)C(=O)NC1(CC1)C#N |r,t:18| Show InChI InChI=1S/C24H22IN3O4/c25-18-13-16-7-8-21(18)32-12-4-3-11-31-20-6-2-1-5-17(20)22(29)27-19(14-16)23(30)28-24(15-26)9-10-24/h1-8,13,19H,9-12,14H2,(H,27,29)(H,28,30)/b4-3+/t19-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM50263578 (CHEMBL4064172) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc(C4CC4)n(CC\C=C\COc1cc2)n3)C(=O)NC1(CC1)C#N |r,t:19| Show InChI InChI=1S/C25H26ClN5O3/c26-18-12-16-4-7-22(18)34-11-3-1-2-10-31-21(17-5-6-17)14-20(30-31)23(32)28-19(13-16)24(33)29-25(15-27)8-9-25/h1,3-4,7,12,14,17,19H,2,5-6,8-11,13H2,(H,28,32)(H,29,33)/b3-1+/t19-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263632 (CHEMBL4080286) Show SMILES FC(F)(F)Oc1ccc(C[C@H](NC(=O)c2cnn(n2)-c2ccccc2)C(=O)NC2(CC2)C#N)cc1Cl |r| Show InChI InChI=1S/C23H18ClF3N6O3/c24-16-10-14(6-7-19(16)36-23(25,26)27)11-17(21(35)31-22(13-28)8-9-22)30-20(34)18-12-29-33(32-18)15-4-2-1-3-5-15/h1-7,10,12,17H,8-9,11H2,(H,30,34)(H,31,35)/t17-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263647 (CHEMBL4099905) Show SMILES Fc1ccc(cc1)-n1ncc(n1)C(=O)N[C@@H](Cc1ccc(Cl)cc1)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C22H18ClFN6O2/c23-15-3-1-14(2-4-15)11-18(21(32)28-22(13-25)9-10-22)27-20(31)19-12-26-30(29-19)17-7-5-16(24)6-8-17/h1-8,12,18H,9-11H2,(H,27,31)(H,28,32)/t18-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	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
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3370-3388 (2018) Article DOI: 10.1021/acs.jmedchem.7b01870 BindingDB Entry DOI: 10.7270/Q2MC92GH
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269099 (2-(2-(4,4-difluoropiperidine-1-carbonyl)-5-(1-isop...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC#N)c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C24H30F2N4O2/c1-17(2)28-10-5-19(6-11-28)32-20-3-4-21-18(15-20)16-22(30(21)14-9-27)23(31)29-12-7-24(25,26)8-13-29/h3-4,15-17,19H,5-8,10-14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Procathepsin L (Homo sapiens (Human))	BDBM210859 (US9290467, 29) Show SMILES Clc1cc2C[C@H](NC(=O)c3cc4CCCCc4cc3OCCCCOc1cc2)C(=O)NC1(CC1)C#N |r| Show InChI InChI=1S/C28H30ClN3O4/c29-22-13-18-7-8-24(22)35-11-3-4-12-36-25-16-20-6-2-1-5-19(20)15-21(25)26(33)31-23(14-18)27(34)32-28(17-30)9-10-28/h7-8,13,15-16,23H,1-6,9-12,14H2,(H,31,33)(H,32,34)/t23-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of human CatL using Cbz-Phe-Arg-AMC as substrate measured over 30 mins by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50263571 (CHEMBL4062591) Show SMILES Clc1ccc(cn1)-c1ccc2c(OC\C=C\COc3ccc(C[C@H](NC2=O)C(=O)NC2(CC2)C#N)cc3Cl)c1 |r,t:15| Show InChI InChI=1S/C29H24Cl2N4O4/c30-22-13-18-3-7-24(22)38-11-1-2-12-39-25-15-19(20-5-8-26(31)33-16-20)4-6-21(25)27(36)34-23(14-18)28(37)35-29(17-32)9-10-29/h1-8,13,15-16,23H,9-12,14H2,(H,34,36)(H,35,37)/b2-1+/t23-/m0/s1	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	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
Laboratorium für Organische Chemie , ETH Zurich , Vladimir-Prelog-Weg 3 , 8093 Zürich , Switzerland. Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain using Cbz-Phe-Arg-AMC as substrate by fluorimetric method				J Med Chem 61: 3350-3369 (2018) Article DOI: 10.1021/acs.jmedchem.7b01869 BindingDB Entry DOI: 10.7270/Q2R49T79
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269097 ((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(c(cc2c1)C(=O)N1CCC(F)(F)CC1)S(C)(=O)=O Show InChI InChI=1S/C23H31F2N3O4S/c1-16(2)26-10-6-18(7-11-26)32-19-4-5-20-17(14-19)15-21(28(20)33(3,30)31)22(29)27-12-8-23(24,25)9-13-27/h4-5,14-16,18H,6-13H2,1-3H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50268996 ((3,3-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCCC(F)(F)C1 Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-10-6-17(7-11-26)29-18-4-5-19-16(12-18)13-20(25-19)21(28)27-9-3-8-22(23,24)14-27/h4-5,12-13,15,17,25H,3,6-11,14H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Rattus norvegicus (rat))	BDBM50268997 ((4,4-Difluoropiperidin-1-yl)[5-(1-isopropyl-piperi...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2[nH]c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C22H29F2N3O2/c1-15(2)26-9-5-17(6-10-26)29-18-3-4-19-16(13-18)14-20(25-19)21(28)27-11-7-22(23,24)8-12-27/h3-4,13-15,17,25H,5-12H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from rat recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269053 ((5-(1-isopropylpiperidin-4-yloxy)-1-(2,2,2-trifluo...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCOCC1 Show InChI InChI=1S/C23H30F3N3O3/c1-16(2)27-7-5-18(6-8-27)32-19-3-4-20-17(13-19)14-21(29(20)15-23(24,25)26)22(30)28-9-11-31-12-10-28/h3-4,13-14,16,18H,5-12,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair
Histamine H3 receptor (Homo sapiens (Human))	BDBM50269054 ((4,4-difluoropiperidin-1-yl)(5-(1-isopropylpiperid...) Show SMILES CC(C)N1CCC(CC1)Oc1ccc2n(CC(F)(F)F)c(cc2c1)C(=O)N1CCC(F)(F)CC1 Show InChI InChI=1S/C24H30F5N3O2/c1-16(2)30-9-5-18(6-10-30)34-19-3-4-20-17(13-19)14-21(32(20)15-24(27,28)29)22(33)31-11-7-23(25,26)8-12-31/h3-4,13-14,16,18H,5-12,15H2,1-2H3	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank 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
F. Hoffmann-La Roche Ltd. Curated by ChEMBL					Assay Description Displacement of [3H](R)-alpha-methylhistamine from human recombinant histamine H3 receptor expressed in CHO cells by liquid scintillation counting				J Med Chem 52: 3855-68 (2009) Article DOI: 10.1021/jm900409x BindingDB Entry DOI: 10.7270/Q2SB46NQ
					More data for this Ligand-Target Pair

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