BindingDB PrimarySearch

Found 1042 hits with Last Name = 'gude' and Initial = 'c'
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
Aromatase (Homo sapiens (Human))	BDBM10044 ((2S,15S)-15-methyl-2-[(methylsulfanyl)methyl]tetra...) 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	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Aromatase inhibitor potency as iron-binding-related type II difference spectrum				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	1.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Inhibition of human placental microsome cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Neprilysin (Rattus norvegicus (Rat))	BDBM50283607 (7-(2-Mercaptomethyl-3-phenyl-propionylamino)-hepta...) Show SMILES OC(=O)CCCCCCNC(=O)C(CS)Cc1ccccc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article	26	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against neutral endopeptidase 24.11 (NEP) in rat kidney cortex membrane				Bioorg Med Chem Lett 4: 2673-2676 (1994) Article DOI: 10.1016/S0960-894X(01)80694-6 BindingDB Entry DOI: 10.7270/Q2X34XXT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM9460 (3-(4-aminophenyl)-3-ethyl-piperidine-2,6-dione \| 3...) Show SMILES CCC1(CCC(=O)NC1=O)c1ccc(N)cc1 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank KEGG PC cid PC sid PDB UniChem Patents Similars	DrugBank PubMed	470	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Competitive inhibition of human placental Cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM8611 (4-{5H,6H,7H,8H-imidazo[1,5-a]pyridin-5-yl}benzonit...) Show SMILES N#Cc1ccc(cc1)C1CCCc2cncn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PubMed	n/a	n/a	0.0300	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description Aromatase inhibitor potency as iron-binding-related type II difference spectrum				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149491 ((2S,3R)-2-{4-[(3aS,6aR)-2-(Hexahydro-cyclopenta[c]...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149496 ((2S,3R)-2-{4-[2-(2-Aza-spiro[3.3]hept-2-yl)-ethoxy...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia 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
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149488 ((2S,3R)-2-{4-[(R)-2-(2-Aza-bicyclo[3.1.0]hex-2-yl)...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.5	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149493 ((2S,3R)-2-{4-[2-(9-Aza-bicyclo[3.3.1]non-9-yl)-eth...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149489 ((2S,3R)-2-{4-[2-(8-Aza-bicyclo[3.2.1]oct-8-yl)-eth...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149492 ((2S,3R)-2-{4-[(1R,5S)-2-(2-Aza-bicyclo[3.1.0]hex-2...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149484 ((2S,3R)-2-{4-[2-(4-Aza-tricyclo[4.3.1.13,8]undec...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149497 ((2S,3R)-2-{4-[2-(3-Aza-bicyclo[3.1.0]hex-3-yl)-eth...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149490 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[2-(2-oxa-5-aza-...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.700	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50144849 ((2S,3R)-2-(4-(2-(PIPERIDIN-1-YL)ETHOXY)PHENYL)-2,3...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Pseudomonas aeruginosa)	BDBM98812 (US8487093, 204) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149487 ((2S,3R)-2-{4-[2-(3-Aza-bicyclo[3.2.0]hept-3-yl)-et...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM98802 (US8487093, 192) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	0.800	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149494 ((2S,3R)-2-{4-[2-(7-Aza-bicyclo[2.2.1]hept-7-yl)-et...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.900	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003792 (8-(4-Fluoro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003784 (8-(4-Chloro-benzenesulfonylamino)-4-[3-(4-methyl-p...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003780 (4-(3-Pyridin-3-yl-propyl)-8-(toluene-4-sulfonylami...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149485 ((2S,3R)-3-(4-Hydroxy-phenyl)-2-{4-[(6R,7S)-2-(octa...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER beta				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Pseudomonas aeruginosa)	BDBM98861 (US8487093, 7) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.10	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERbeta				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Angiotensin-converting enzyme 2 (Homo sapiens (Human))	BDBM50017129 ((S)-1-((S)-2-((R)-1-ethoxy-1-oxo-4-phenylbutan-2-y...) Show SMILES Show InChI	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG PC cid PC sid UniChem Patents Similars	Article	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro inhibition against angiotensin converting enzyme (ACE)				Bioorg Med Chem Lett 4: 2673-2676 (1994) Article DOI: 10.1016/S0960-894X(01)80694-6 BindingDB Entry DOI: 10.7270/Q2X34XXT
TBA Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERbeta by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Pseudomonas aeruginosa)	BDBM98792 (US8487093, 180) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Estrogen receptor beta (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERbeta				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM50149486 ((2S,3R)-2-{4-[2-(8-Aza-spiro[4.5]dec-8-yl)-ethoxy]...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.20	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM50149495 ((2S,3R)-2-{4-[2-(2-Aza-bicyclo[2.2.2]oct-2-yl)-eth...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity at human recombinant ERalpha				Bioorg Med Chem Lett 17: 6295-8 (2007) Article DOI: 10.1016/j.bmcl.2007.09.001 BindingDB Entry DOI: 10.7270/Q2JQ11VT
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human recombinant ERalpha by scintillation proximity assay				Bioorg Med Chem Lett 17: 2944-8 (2007) Article DOI: 10.1016/j.bmcl.2006.12.053 BindingDB Entry DOI: 10.7270/Q2D50NS7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Estrogen receptor (Homo sapiens (Human))	BDBM17292 ((1S,10R,11S,14S,15S)-15-methyltetracyclo[8.7.0.0^{...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.40	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding affinity to human ERalpha				Bioorg Med Chem Lett 16: 834-8 (2006) Article DOI: 10.1016/j.bmcl.2005.11.014 BindingDB Entry DOI: 10.7270/Q2R78G0P
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003803 (8-(Naphthalene-2-sulfonylamino)-4-(3-pyridin-3-yl-...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-1,6-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase (Homo sapiens (Human))	BDBM272063 (US10065945, Example 57) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description A solution of 1 M LiHMDS in THF (51.7 ml, 51.7 mmol) was added dropwise to a mixture of Intermediate 3 (7.5 g, 17.2 mmol) and 5-(tert-butyl)-4-methyl...				US Patent US10065945 (2018) BindingDB Entry DOI: 10.7270/Q24X59TJ
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM98862 (US8487093, 8) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM98862 (US8487093, 8) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.60	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Estrogen receptor (Homo sapiens (Human))	BDBM19441 (2-(4-hydroxyphenyl)-3-({4-[2-(piperidin-1-yl)ethox...) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL DrugBank MCE KEGG MMDB PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Binding potency for human ER alpha				Bioorg Med Chem Lett 14: 3861-4 (2004) Article DOI: 10.1016/j.bmcl.2004.05.074 BindingDB Entry DOI: 10.7270/Q2C24VW7
Merck Research Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Beta-lactamase (Pseudomonas aeruginosa)	BDBM98819 (US8487093, 212) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003781 (CHEMBL341686 \| [5-(4-Chloro-benzenesulfonylamino)-...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003776 (8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of thromboxane synthasase in microsomal platelet preparation				J Med Chem 36: 205-10 (1993) BindingDB Entry DOI: 10.7270/Q2XS5TFK
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM98847 (US8487093, 266) Show SMILES Show InChI	PDB MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM98799 (US8487093, 188) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Beta-lactamase (Pseudomonas aeruginosa)	BDBM98806 (US8487093, 196) Show SMILES Show InChI	PDB MMDB KEGG UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	KEGG PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent					Assay Description Enzyme activities were measured in the presence of the test inhibitor in spectrophotometric assay.				US Patent US8487093 (2013) BindingDB Entry DOI: 10.7270/Q2057DKK
Merck Sharp & Dohme Corp. US Patent					More data for this Ligand-Target Pair
Aromatase (Homo sapiens (Human))	BDBM50368174 (CHEMBL1203762) Show SMILES N#Cc1ccc(cc1)C1CCc2cncn12 Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of cytochrome P450 19A1				J Med Chem 34: 725-36 (1991) BindingDB Entry DOI: 10.7270/Q2SB46BP
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003776 (8-(4-Chloro-benzenesulfonylamino)-4-(3-pyridin-3-y...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description The compound was tested in vitro for its inhibitory activity against thromboxane synthase A2 (TXA2)				J Med Chem 35: 4366-72 (1992) BindingDB Entry DOI: 10.7270/Q2JW8CVB
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair
Thromboxane-A synthase (Homo sapiens (Human))	BDBM50003801 (4-(3-Pyridin-3-yl-propyl)-8-(4-trifluoromethyl-ben...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2	n/a	n/a	n/a	n/a	n/a	n/a
CIBA-GEIGY Corporation Curated by ChEMBL					Assay Description In vitro inhibition of Thromboxane A2 synthase				J Med Chem 35: 4373-83 (1992) BindingDB Entry DOI: 10.7270/Q2F47N3W
CIBA-GEIGY Corporation Curated by ChEMBL					More data for this Ligand-Target Pair

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