BindingDB PrimarySearch

Found 103037 hits with Last Name = 'le' and Initial = 't'
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
Type-1 angiotensin II receptor (Homo sapiens (Human))	BDBM50091105 (4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Type-1 angiotensin II receptor B (RAT)	BDBM50091105 (4''-Oxazol-2-yl-biphenyl-2-sulfonic acid (3,4-dime...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards rat Angiotensin II receptor, type 1				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50042235 (2-butyl-3-{[2'-(1H-tetrazol-5-yl)[1,1'-biphenyl]-4...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE KEGG PC cid PC sid UniChem Patents Similars	PubMed	>0.000100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Compound was evaluated for its binding affinity towards human Endothelin A receptor				J Med Chem 45: 3829-35 (2002) BindingDB Entry DOI: 10.7270/Q2Z60NDM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50292202 (CHEMBL382542 \| N-(2-Aminomethyl-5-chloro-benzyl)-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against thrombin in human plasma				Bioorg Med Chem Lett 15: 2771-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.110 BindingDB Entry DOI: 10.7270/Q2PN96C6
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50292203 (CHEMBL196030 \| N-(5-Chloro-2-tetrazol-1-yl-benzyl)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity against thrombin in human plasma				Bioorg Med Chem Lett 15: 2771-5 (2005) Article DOI: 10.1016/j.bmcl.2005.03.110 BindingDB Entry DOI: 10.7270/Q2PN96C6
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM194105 (US9200001, 19) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...				US Patent US9200001 (2015) BindingDB Entry DOI: 10.7270/Q2BP01M3
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM194104 (US9200001, 18) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...				US Patent US9200001 (2015) BindingDB Entry DOI: 10.7270/Q2BP01M3
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM194113 (US9200001, 28) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00300	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...				US Patent US9200001 (2015) BindingDB Entry DOI: 10.7270/Q2BP01M3
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM194090 (US9200001, 3) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...				US Patent US9200001 (2015) BindingDB Entry DOI: 10.7270/Q2BP01M3
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM194223 (US9200001, 26) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...				US Patent US9200001 (2015) BindingDB Entry DOI: 10.7270/Q2BP01M3
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM194122 (US9200001, 38) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.00500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...				US Patent US9200001 (2015) BindingDB Entry DOI: 10.7270/Q2BP01M3
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Alpha-1B adrenergic receptor (C.H.O.)	BDBM50007568 (1-((S)-8-Chloro-10,11-dihydro-dibenzo[b,f]thiepin-...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid UniChem Similars	Article PubMed	0.00900	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Copenhagen Curated by ChEMBL					Assay Description Displacement of [3H]prozosin from hamster cloned alpha1b receptor				J Med Chem 53: 7021-34 (2010) Article DOI: 10.1021/jm100652h BindingDB Entry DOI: 10.7270/Q20C4W0P
University of Copenhagen Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50337878 ((R)-1-(9-(2-hydroxy-2-(8-hydroxy-2-oxo-1,2-dihydro...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance, Inc. Curated by ChEMBL					Assay Description Displacement of [3H]-N-methyl-scopolamine from human muscarinic M3 receptor after 6 hrs by cell based assay				Bioorg Med Chem Lett 21: 1354-8 (2011) Checked by Author Article DOI: 10.1016/j.bmcl.2011.01.043 BindingDB Entry DOI: 10.7270/Q2NC61HQ
Theravance, Inc. Curated by ChEMBL					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM36648 (3-alkylaminoindazole cyclic urea, (H)) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	<0.0100	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
DuPont Merck Pharmaceutical Company					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM177 ((4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-1,3-bis({...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	-65.3	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Ki values were determined with recombinant single-chain dimeric HIV protease and a fluorescent substrate. The use of single-chain dimeric protease a...				J Med Chem 39: 3514-25 (1996) Article DOI: 10.1021/jm9602571 BindingDB Entry DOI: 10.7270/Q2ZW1J3M
DuPont Merck Pharmaceutical Company					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50066861 (BA-679-BR \| Spiriva \| Tiotropium Bromide \| Tiotrop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human M3 D518A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay				J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299749 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Isoform PDE10A2 of cAMP and cAMP-inhibited cGMP 3',5'-cyclic phosphodiesterase 10A (PDE10A2) (Homo sapiens (Human))	BDBM194099 (US9200001, 13) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description In a typical experiment the PDE10 inhibitory activity of the compounds of the present invention was determined in accordance with the following exp...				US Patent US9200001 (2015) BindingDB Entry DOI: 10.7270/Q2BP01M3
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50066861 (BA-679-BR \| Spiriva \| Tiotropium Bromide \| Tiotrop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human M3 R133A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay				J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50066861 (BA-679-BR \| Spiriva \| Tiotropium Bromide \| Tiotrop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human M3 K213A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay				J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7
					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM162 (3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0100	-65.3	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company									J Med Chem 39: 3514-25 (1996) Article DOI: 10.1021/jm9602571 BindingDB Entry DOI: 10.7270/Q2ZW1J3M
DuPont Merck Pharmaceutical Company					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50066861 (BA-679-BR \| Spiriva \| Tiotropium Bromide \| Tiotrop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Antagonist activity at human M3 receptor expressed in CHO cells assessed as inhibition of carbachol-induced response after 30 mins by AP-1-driven luc...				J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7
					More data for this Ligand-Target Pair
Somatostatin receptor type 2 (Homo sapiens (Human))	BDBM85357 (2-[[(2R,3S)-2-[[4-[(2-Oxo-2,3-dihydro-1H-benzimida...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by PDSP K_i Database									Proc Natl Acad Sci U S A 95: 10836-41 (1998) Article DOI: 10.1073/pnas.95.18.10836 BindingDB Entry DOI: 10.7270/Q2XW4HCM
Merck Research Laboratories Curated by PDSP K_i Database					More data for this Ligand-Target Pair
D(2) dopamine receptor (Homo sapiens (Human))	BDBM50008782 (CHEMBL44237 \| EPIDEPRIDE \| Epidepride;N-(1-Ethyl-p...) Show SMILES CCN1CCC[C@H]1CNC(=O)c1cc(I)cc(OC)c1OC Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Toronto Curated by PDSP K_i Database									Mol Psychiatry 3: 123-34 (1998) Article DOI: 10.1038/sj.mp.4000336 BindingDB Entry DOI: 10.7270/Q2G15ZCQ
University of Toronto Curated by PDSP K_i Database					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50066861 (BA-679-BR \| Spiriva \| Tiotropium Bromide \| Tiotrop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human M3 K523A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay				J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7
					More data for this Ligand-Target Pair
HIV-1 protease (Human immunodeficiency virus)	BDBM36647 (3-Aminoindazole, 2) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0100	n/a	n/a	n/a	n/a	n/a	n/a	5.5	n/a
DuPont Merck Pharmaceutical Company					Assay Description Protease inhibition fluorescence-based assay using cyclic ureas to inhibit HIV-protease.				Chem Biol 5: 597-608 (1998) Article DOI: 10.1016/s1074-5521(98)90117-x BindingDB Entry DOI: 10.7270/Q2R78CK2
DuPont Merck Pharmaceutical Company					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299902 (6-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299975 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0120	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300079 (N-[(2R)-1- hydroxypropan-2- yl]-6-[4-(4- methoxy-1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300077 (N-(3-amino-3- methylbutan- 2-yl)-2- (cyclo- propyl...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300011 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300035 (2-(benzyloxy)-N- [(2R)-1- hydroxypropan-2- yl]-6-[...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.0130	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM160 (3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dupont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				J Med Chem 41: 2411-23 (1998) Article DOI: 10.1021/jm980103g BindingDB Entry DOI: 10.7270/Q2H41QJW
Dupont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM160 (3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to inhibit the purified wild-type HIV-1 Protease				J Med Chem 40: 181-91 (1997) Article DOI: 10.1021/jm960586t BindingDB Entry DOI: 10.7270/Q2ST7NZ3
DuPont Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [501-599] (Human immunodeficiency virus type 1)	BDBM160 (3-{[(4R,5S,6S,7R)-4,7-dibenzyl-5,6-dihydroxy-3-{[3...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0140	-64.4	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company									J Med Chem 39: 3514-25 (1996) Article DOI: 10.1021/jm9602571 BindingDB Entry DOI: 10.7270/Q2ZW1J3M
DuPont Merck Pharmaceutical Company					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM300088 (N-[(2R)-1- hydroxypropan-2- yl]-2-[(2R)-2- methoxy...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0140	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299931 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299998 (N-[(2R)-1- hydroxypropan-2- yl]-6-[4-(4- methoxy-1...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Neuronal acetylcholine receptor subunit alpha-4/beta-2 (Rattus norvegicus (Rat))	BDBM50450717 (CHEMBL317087) Show SMILES Clc1ncc(OC[C@@H]2CCN2)cc1Br Show InChI	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0150	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding affinity towards Nicotinic acetylcholine receptor alpha4-beta2 in rat brain using [3H]-cytisine as radioligand				Bioorg Med Chem Lett 8: 2797-802 (1999) BindingDB Entry DOI: 10.7270/Q23J3FGV
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50066861 (BA-679-BR \| Spiriva \| Tiotropium Bromide \| Tiotrop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to wild type human M3 receptor expressed in HEK293T cells up to 24 hrs by radioligand displacement assay				J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50066861 (BA-679-BR \| Spiriva \| Tiotropium Bromide \| Tiotrop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human M3 F225A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay				J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50066861 (BA-679-BR \| Spiriva \| Tiotropium Bromide \| Tiotrop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human M3 E220A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay				J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7
					More data for this Ligand-Target Pair
Muscarinic acetylcholine receptor M3 (Homo sapiens (Human))	BDBM50066861 (BA-679-BR \| Spiriva \| Tiotropium Bromide \| Tiotrop...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	Article PubMed	0.0158	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharma GmbH & Co. KG Curated by ChEMBL					Assay Description Binding affinity to human M3 F222A mutant expressed in HEK293T cells up to 24 hrs by radioligand displacement assay				J Med Chem 56: 8746-56 (2013) Article DOI: 10.1021/jm401219y BindingDB Entry DOI: 10.7270/Q28055J7
					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50055590 (3-((4R,5S,6S,7R)-4,7-Dibenzyl-3-cyclopropylmethyl-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to inhibit the purified wild-type HIV-1 Protease				J Med Chem 40: 181-91 (1997) Article DOI: 10.1021/jm960586t BindingDB Entry DOI: 10.7270/Q2ST7NZ3
DuPont Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299744 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Dimer of Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM7084 (N-(1H-1,3-benzodiazol-2-yl)-3-{[(4R,5S,6S,7R)-4,7-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	0.0160	-64.1	n/a	n/a	n/a	n/a	n/a	5.5	37
DuPont Merck Pharmaceutical Company					Assay Description Inhibition of HIV protease was measured by assay of the cleavage of a fluorescent peptide substrate. The fluorescent product (2-aminobenzoyl-Ala-Thr-...				Bioorg Med Chem Lett 8: 1077-82 (1998) Article DOI: 10.1016/s0960-894x(98)00175-9 BindingDB Entry DOI: 10.7270/Q21G0JGN
DuPont Merck Pharmaceutical Company					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50069201 ((4R,5S,6S,7R)-5,6-Dihydroxy-4,7-bis-(4-hydroxy-ben...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
DuPont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description HIV protease inhibition.				Bioorg Med Chem Lett 8: 823-8 (1999) BindingDB Entry DOI: 10.7270/Q2DR2TMP
DuPont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Tyrosine-protein kinase receptor UFO (Homo sapiens (Human))	BDBM299909 (4-[4-({[2-amino-5- (1-methyl-1H- imidazol-4- yl)py...) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description AXL enzyme inhibition (% inhibition, Kiapp and Ki values) by small molecule inhibitors was evaluated using a fluorescence-based microfluidic mobility...				US Patent US9593097 (2017) BindingDB Entry DOI: 10.7270/Q2GM89BD
Pfizer Inc. US Patent					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50065075 ((4R,5S,6S,7R)-1-{3-[(1H-Benzoimidazol-2-ylmethyl)-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dupont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				J Med Chem 41: 2411-23 (1998) Article DOI: 10.1021/jm980103g BindingDB Entry DOI: 10.7270/Q2H41QJW
Dupont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair
Gag-Pol polyprotein [489-587] (Human immunodeficiency virus type 1)	BDBM50065080 (3-[(4R,5S,6S,7R)-4,7-Dibenzyl-5,6-dihydroxy-3-(1H-...) Show SMILES Show InChI	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	0.0160	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Dupont Merck Pharmaceutical Company Curated by ChEMBL					Assay Description Inhibitory activity against HIV protease				J Med Chem 41: 2411-23 (1998) Article DOI: 10.1021/jm980103g BindingDB Entry DOI: 10.7270/Q2H41QJW
Dupont Merck Pharmaceutical Company Curated by ChEMBL					More data for this Ligand-Target Pair

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