BindingDB PrimarySearch

Found 298 hits with Last Name = 'ang' and Initial = 'kk'
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kJ/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50073850 ((S)-2-((S)-2-Benzyloxycarbonylamino-3-methyl-butyr...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
Hoechst Marion Roussel, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080206 (CHEMBL311735 \| [1-((4S,5R)-4-Benzyl-5-hydroxy-oxaz...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	33	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
Hoechst Marion Roussel, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Cathepsin B (Bos taurus (bovine))	BDBM50080206 (CHEMBL311735 \| [1-((4S,5R)-4-Benzyl-5-hydroxy-oxaz...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against bovine cathepsin B.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
Hoechst Marion Roussel, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate \| 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303409 (4-amino-6-(diphenylamino)-1,3,5-triazine-2-carboni...) Show SMILES Nc1nc(nc(n1)N(c1ccccc1)c1ccccc1)C#N Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	180	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Competitive inhibition of recombinant Trypanosoma cruzi cruzain by Lineweaver-Burk plot analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM10755 (14C-5-hydroxy tryptamine creatinine disulfate \| 2-...) Show SMILES NCCc1c[nH]c2ccc(O)cc12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid PDB UniChem Similars	PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311245 ((S)-4-methyl-2-phenyl-N-(5-phenyl-1-(phenylsulfony...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	320	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50250840 (5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	330	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080207 (CHEMBL80142 \| {1-[((S)-1-Formyl-2-phenyl-ethyl)-hy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
Hoechst Marion Roussel, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080209 (CHEMBL78324 \| {1-[((S)-1-Formyl-2-phenyl-ethyl)-me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
Hoechst Marion Roussel, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50366611 (CHEMBL1794816) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
Hoechst Marion Roussel, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50250841 (CHEMBL463250 \| N-3'-ethylaplysinopsin) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.70E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50250840 (5-(6-Bromo-1H-indol-3-ylmethylene)-2-imino-1,3-dim...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080210 (Acetic acid (4S,5S)-4-benzyl-3-(2-benzyloxycarbony...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
Hoechst Marion Roussel, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50250839 (6-bromo-2'-de-N-methylaplysinopsin \| CHEMBL2058413...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50366612 (CHEMBL1794817) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.20E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
Hoechst Marion Roussel, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2C (Homo sapiens (Human))	BDBM50250841 (CHEMBL463250 \| N-3'-ethylaplysinopsin) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]mesulergine form human cloned 5HT2C receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50295154 (2-(2,5-dichlorophenylamino)-2-oxoethyl 2-aminonico...) Show SMILES Nc1ncccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	3.20E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Competitive inhibition of Trypanosoma cruzi cruzain by Lineaweaver-Burk plot analysis				J Med Chem 52: 5005-8 (2010) Article DOI: 10.1021/jm9009229 BindingDB Entry DOI: 10.7270/Q24J0F50
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50080208 (CHEMBL73869 \| [(R)-1-((2R,3S)-3-Benzyl-2-hydroxy-m...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	5.60E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Hoechst Marion Roussel, Inc. Curated by ChEMBL					Assay Description Tested for inhibitory activity against calpain.				Bioorg Med Chem Lett 9: 2365-70 (1999) BindingDB Entry DOI: 10.7270/Q2F1907J
Hoechst Marion Roussel, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50250839 (6-bromo-2'-de-N-methylaplysinopsin \| CHEMBL2058413...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Mississippi Curated by ChEMBL					Assay Description Displacement of [3H]methylspiperone form human cloned 5HT2A receptor expressed in african green monkey COS7 cells by scintillation spectroscopy				J Nat Prod 65: 476-80 (2002) BindingDB Entry DOI: 10.7270/Q2QC0379
The University of Mississippi Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	0.200	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Cruzipain (Trypanosoma cruzi)	BDBM50303422 (6-(3-chlorophenylamino)-9-cyclopentyl-9H-purine-2-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL 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
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Cruzipain (Trypanosoma cruzi)	BDBM50303421 (6-(3-Chlorophenylamino)-9-ethyl-9H-purine-2-carbon...) Show SMILES CCn1cnc2c(Nc3cccc(Cl)c3)nc(nc12)C#N Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.400	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Cruzipain (Trypanosoma cruzi)	BDBM50303419 (4-(2,2-difluoroethylamino)-6-(3,5-difluorophenylam...) Show SMILES FC(F)CNc1nc(Nc2cc(F)cc(F)c2)nc(n1)C#N Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303434 (4-(cyclopentylamino)-6-(3-nitrophenylamino)-1,3,5-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303411 (4-(3-bromophenylamino)-6-(cyclopentylamino)-1,3,5-...) Show SMILES Brc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303410 (4-(3-chlorophenylamino)-6-(cyclopentylamino)-1,3,5...) Show SMILES Clc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303417 (4-(Cyclopentylamino)-6-(3,5-difluorophenylamino)-1...) Show SMILES Fc1cc(F)cc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354702 (Preparation of t-butyl(4-hydroxybenzyl)carbamate \|...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.30	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
DONG-A ST CO., LTD. US Patent					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50229129 (4-Methyl-piperazine-1-carboxylic acid [(S)-1-((E)-...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50124010 (2-(4-Fluoro-benzenesulfonylamino)-N-(1-formyl-3-me...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	7.5	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co. Curated by ChEMBL					Assay Description In vitro inhibition of porcine mu-calpain.				J Med Chem 46: 868-71 (2003) Article DOI: 10.1021/jm0201924 BindingDB Entry DOI: 10.7270/Q2TB168Z
Senju Pharmaceutical Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354706 (Preparation of 4-((2R,5S)-5-((4-cyanophenoxy)methy...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.60	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
DONG-A ST CO., LTD. US Patent					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354712 (Preparation of N-(4-(((2R,5S)-3-(4-cyano-3-(triflu...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8.5	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
DONG-A ST CO., LTD. US Patent					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311248 ((S)-3-phenyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303418 (4-(cyclopentylamino)-6-(3,5-dichlorophenylamino)-1...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311250 ((S)-N-(5-phenyl-1-(phenylsulfonyl)pent-1-en-3-yl)-...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cysteine protease (Trypanosoma brucei rhodesiense)	BDBM50311247 ((S)-4-methyl-N-(5-phenyl-1-(phenylsulfonyl)pent-1-...) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
University of California Curated by ChEMBL					Assay Description Inhibition of Trypanosoma brucei rhodesiense rhodesain preincubated after 5 mins				Bioorg Med Chem Lett 19: 6218-21 (2009) Article DOI: 10.1016/j.bmcl.2009.08.098 BindingDB Entry DOI: 10.7270/Q26973PF
University of California Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303420 (6-(3,5-Difluorophenylamino)-9-ethyl-9H-purine-2-ca...) Show SMILES CCn1cnc2c(Nc3cc(F)cc(F)c3)nc(nc12)C#N Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 15 mins				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50124017 (CHEMBL168909 \| N-(1-Formyl-3-methyl-butyl)-3-methy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co. Curated by ChEMBL					Assay Description In vitro inhibition of porcine mu-calpain.				J Med Chem 46: 868-71 (2003) Article DOI: 10.1021/jm0201924 BindingDB Entry DOI: 10.7270/Q2TB168Z
Senju Pharmaceutical Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303435 (4-(cyclopentylamino)-6-(3-fluorophenylamino)-1,3,5...) Show SMILES Fc1cccc(Nc2nc(NC3CCCC3)nc(n2)C#N)c1 Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	10	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant Trypanosoma cruzi cruzain after 5 mins by spectrofluorimetric analysis				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354721 (Preparation of ((2S,5S)-3-(3-methyl-4-nitrophenyl)...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.4	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
DONG-A ST CO., LTD. US Patent					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354703 (Preparation of 4-((2R,5S)-5-((4-cyano-2-fluorophen...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	10.5	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
DONG-A ST CO., LTD. US Patent					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354698 (Preparation of ((2R,5S)-3-(3-methyl-4-nitrophenyl)...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	11	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
DONG-A ST CO., LTD. US Patent					More data for this Ligand-Target Pair
Cruzipain (Trypanosoma cruzi)	BDBM50303436 (9-(2,2-difluoroethyl)-6-(3,5-difluorophenylamino)-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
National Human Genome Research Institute Curated by ChEMBL					Assay Description Inhibition of Trypanosoma cruzi cruzain after 15 mins				J Med Chem 53: 52-60 (2010) Article DOI: 10.1021/jm901069a BindingDB Entry DOI: 10.7270/Q2TX3FG5
National Human Genome Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (docked)
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50124024 (2-(4-Chloro-benzenesulfonylamino)-N-[1-formyl-2-(1...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co. Curated by ChEMBL					Assay Description In vitro inhibition of porcine mu-calpain.				J Med Chem 46: 868-71 (2003) Article DOI: 10.1021/jm0201924 BindingDB Entry DOI: 10.7270/Q2TB168Z
Senju Pharmaceutical Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354700 (Preparation of ((2R,5S)-3-(3-trifluoromethyl-4-nit...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	13.7	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
DONG-A ST CO., LTD. US Patent					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50124012 (2-(4-Chloro-benzenesulfonylamino)-N-(1-formyl-2-ph...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co. Curated by ChEMBL					Assay Description In vitro inhibition of porcine mu-calpain.				J Med Chem 46: 868-71 (2003) Article DOI: 10.1021/jm0201924 BindingDB Entry DOI: 10.7270/Q2TB168Z
Senju Pharmaceutical Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Calpain-1 catalytic subunit (Homo sapiens (Human))	BDBM50124022 (CHEMBL169307 \| N-(1-Formyl-2-phenyl-ethyl)-3-methy...) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
Senju Pharmaceutical Co. Curated by ChEMBL					Assay Description In vitro inhibition of porcine mu-calpain.				J Med Chem 46: 868-71 (2003) Article DOI: 10.1021/jm0201924 BindingDB Entry DOI: 10.7270/Q2TB168Z
Senju Pharmaceutical Co. Curated by ChEMBL					More data for this Ligand-Target Pair
Androgen receptor (Chlorocebus sabaeus (Green monkey) (Cercopithecus ...)	BDBM354717 (Preparation of (S)-2-hydroxy-3-((4-nitro-3-(triflu...) Show SMILES Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14.1	n/a	n/a	n/a	n/a	n/a	n/a
DONG-A ST CO., LTD. US Patent					Assay Description In order to examine binding ability of the agonists of the present invention to androgen receptors, the following in-vitro experiment was performed. ...				US Patent US9809583 (2017) BindingDB Entry DOI: 10.7270/Q2C82CGC
DONG-A ST CO., LTD. US Patent					More data for this Ligand-Target Pair

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