Enzyme Monomer Search

Marvin 2D Structure

Wt: 155.1 BDBM50121955 Purchase	Wt: 111.0 BDBM50543165 Purchase	Wt: 125.1 BDBM50543166 Purchase	Wt: 125.1 BDBM50543167 Purchase	Wt: 125.1 BDBM50543168 Purchase
Wt: 139.1 BDBM50543170 Purchase	Wt: 139.1 BDBM50543171 Purchase	Wt: 153.1 BDBM50543172 Purchase	Wt: 162.1 BDBM600881	Wt: 160.1 BDBM600887
Wt: 159.1 BDBM600840	Wt: 146.1 BDBM600902	Wt: 161.1 BDBM600903 Purchase	Wt: 161.1 BDBM600905	Wt: 146.1 BDBM600907

Displayed 1 to 15 (of 606 total ) | Next | Last >>

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB (change energy unit to kcal/mol)

Found 20 hits in this display
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
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50121955 (4-Phenyl-pyridine \| CHEMBL109074 \| US11634391, Com...) Show SMILES c1ccc(cc1)-c1ccncc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars		n/a	n/a	1.74E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
TBA					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM600840 (1-(p-tolyl)triazole \| US11634391, Compound 63) Show SMILES Cc1ccc(cc1)-n1ccnn1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.75E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
TBA					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM600887 (2-(p-tolyl)-1,3,4-oxadiazole \| US11634391, Compoun...) Show SMILES Cc1ccc(cc1)-c1nnco1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	4.08E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
TBA					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM600907 (2-phenyl-1,3,4-oxadiazole \| US11634391, Compound 1...) Show SMILES c1nnc(o1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	6.94E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
TBA					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM600881 (5-phenyl-1,3,4-oxadiazol-2-ol \| US11634391, Compou...) Show SMILES Oc1nnc(o1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.29E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
TBA					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM600902 (1-phenyl-1H-tetrazole \| US11634391, Compound 134) Show SMILES c1nnnn1-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	1.94E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
TBA					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM600903 (5-phenyl-1,3,4-oxadiazol-2-amine \| US11634391, Com...) Show SMILES Nc1nnc(o1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid UniChem		n/a	n/a	3.30E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
TBA					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM600905 (3-phenyl-1,2,4-oxadiazol-5-amine \| US11634391, Com...) Show SMILES Nc1nc(no1)-c1ccccc1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	7.06E+4	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details BindingDB Entry DOI: 10.7270/Q2ZS31FM
TBA					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50543172 (CHEMBL4636951) Show SMILES Cc1cc(C(O)=O)c(C)n1C Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fl...				J Med Chem 63: 9464-9483 (2020) Article DOI: 10.1021/acs.jmedchem.0c00660 BindingDB Entry DOI: 10.7270/Q24J0JNH
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50543171 (CHEMBL4645573) Show SMILES Cc1cc(C(O)=O)c(C)[nH]1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fl...				J Med Chem 63: 9464-9483 (2020) Article DOI: 10.1021/acs.jmedchem.0c00660 BindingDB Entry DOI: 10.7270/Q24J0JNH
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50543168 (CHEMBL247338) Show SMILES Cc1cc(c[nH]1)C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fl...				J Med Chem 63: 9464-9483 (2020) Article DOI: 10.1021/acs.jmedchem.0c00660 BindingDB Entry DOI: 10.7270/Q24J0JNH
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50543167 (CHEMBL4649435) Show SMILES Cc1c[nH]cc1C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fl...				J Med Chem 63: 9464-9483 (2020) Article DOI: 10.1021/acs.jmedchem.0c00660 BindingDB Entry DOI: 10.7270/Q24J0JNH
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50543166 (CHEMBL4636656) Show SMILES Cc1[nH]ccc1C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fl...				J Med Chem 63: 9464-9483 (2020) Article DOI: 10.1021/acs.jmedchem.0c00660 BindingDB Entry DOI: 10.7270/Q24J0JNH
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50543165 (CHEBI:68076 \| CHEMBL79155) Show SMILES OC(=O)c1cc[nH]c1 Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid PDB UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fl...				J Med Chem 63: 9464-9483 (2020) Article DOI: 10.1021/acs.jmedchem.0c00660 BindingDB Entry DOI: 10.7270/Q24J0JNH
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Palmitoleoyl-protein carboxylesterase NOTUM (Homo sapiens (Human))	BDBM50543170 (CHEMBL4646068) Show SMILES Cc1c[nH]c(C)c1C(O)=O Show InChI	PDB UniProtKB/SwissProt GoogleScholar AffyNet	Purchase MCE PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
University College London Curated by ChEMBL					Assay Description Inhibition of human Notum (S81 to T451 residues) Cys330Ser mutant expressed in HEK293S GnTI cells using OPTS as substrate incubated for 40 mins by fl...				J Med Chem 63: 9464-9483 (2020) Article DOI: 10.1021/acs.jmedchem.0c00660 BindingDB Entry DOI: 10.7270/Q24J0JNH
University College London Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM50121955 (4-Phenyl-pyridine \| CHEMBL109074 \| US11634391, Com...) Show SMILES c1ccc(cc1)-c1ccncc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	>2.00E+6	n/a	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Inhibition of native signal containing Klebsiella pneumoniae OXA-48 using nitrocefin substrate pre-incubated for 5 mins before substrate addition				J Med Chem 59: 5542-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00660 BindingDB Entry DOI: 10.7270/Q2NP26CK
UiT The Arctic University of Norway Curated by ChEMBL					More data for this Ligand-Target Pair
Beta-lactamase (Klebsiella pneumoniae)	BDBM50121955 (4-Phenyl-pyridine \| CHEMBL109074 \| US11634391, Com...) Show SMILES c1ccc(cc1)-c1ccncc1 Show InChI	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	>1.00E+6	n/a	n/a	n/a	n/a	n/a
UiT The Arctic University of Norway Curated by ChEMBL					Assay Description Binding affinity to native signal deficient and TEV cleavage site containing His-tagged Klebsiella pneumoniae OXA-48 expressed in Escherichia coli as...				J Med Chem 59: 5542-54 (2016) Article DOI: 10.1021/acs.jmedchem.6b00660 BindingDB Entry DOI: 10.7270/Q2NP26CK
UiT The Arctic University of Norway Curated by ChEMBL					More data for this Ligand-Target Pair
Peregrin (Homo sapiens (Human))	BDBM50121955 (4-Phenyl-pyridine \| CHEMBL109074 \| US11634391, Com...) Show SMILES c1ccc(cc1)-c1ccncc1 Show InChI	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase CHEMBL MCE PC cid PC sid PDB UniChem Patents Similars	PDB Article PubMed	n/a	n/a	n/a	>2.00E+5	n/a	n/a	n/a	n/a	n/a
University of Z£rich Curated by ChEMBL					Assay Description Binding affinity to recombinant GST-tagged human BRPF1 expressed in Escherichia coli BL21 (DE3) after 1 hr by qPCR-based BromoScan assay				J Med Chem 59: 5555-61 (2016) Article DOI: 10.1021/acs.jmedchem.6b00215 BindingDB Entry DOI: 10.7270/Q22Z17GF
University of Z£rich Curated by ChEMBL					More data for this Ligand-Target Pair				3D Structure (crystal)
Stromelysin-1 (Homo sapiens (Human))	BDBM50121955 (4-Phenyl-pyridine \| CHEMBL109074 \| US11634391, Com...) Show SMILES c1ccc(cc1)-c1ccncc1 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	n/a	9.00E+5	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding to stromelysin (MMP-3) in the presence of 1-Napthohydroxamate				J Med Chem 45: 5628-39 (2002) BindingDB Entry DOI: 10.7270/Q20C4V3M
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair
Stromelysin-1 (Homo sapiens (Human))	BDBM50121955 (4-Phenyl-pyridine \| CHEMBL109074 \| US11634391, Com...) Show SMILES c1ccc(cc1)-c1ccncc1 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	n/a	1.70E+5	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Binding to stromelysin (MMP-3) in the presence of acetohydroxamic acid				J Med Chem 45: 5628-39 (2002) BindingDB Entry DOI: 10.7270/Q20C4V3M
Abbott Laboratories Curated by ChEMBL					More data for this Ligand-Target Pair