BindingDB PrimarySearch

BDBM50266122 CHEMBL4070789

SMILES: CCCC[S@@+]([O-])c1sc2nc(cc(-c3cnc(C)n3C)c2c1N)-c1nccs1

InChI Key: InChIKey=LKPKDKDBZLBUIC-MUUNZHRXSA-N

Data: 1 KI 7 IC50

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 8 hits for monomerid = 50266122
Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	k_off s^-1	k_on M^-1s^-1	pH	Temp °C
15-hydroxyprostaglandin dehydrogenase [NAD+] (Homo sapiens (Human))	BDBM50266122 (CHEMBL4070789) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	0.0600	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...				J Med Chem 60: 3979-4001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00271 BindingDB Entry DOI: 10.7270/Q2280B21
UT Southwestern Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2B6 (Homo sapiens (Human))	BDBM50266122 (CHEMBL4070789) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2B6 (unknown origin)				J Med Chem 60: 3979-4001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00271 BindingDB Entry DOI: 10.7270/Q2280B21
UT Southwestern Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C8 (Homo sapiens (Human))	BDBM50266122 (CHEMBL4070789) Show SMILES Show InChI	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C8 (unknown origin)				J Med Chem 60: 3979-4001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00271 BindingDB Entry DOI: 10.7270/Q2280B21
UT Southwestern Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C19 (Homo sapiens (Human))	BDBM50266122 (CHEMBL4070789) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C19 (unknown origin)				J Med Chem 60: 3979-4001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00271 BindingDB Entry DOI: 10.7270/Q2280B21
UT Southwestern Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2D6 (Homo sapiens (Human))	BDBM50266122 (CHEMBL4070789) Show SMILES Show InChI	PDB UniProtKB/SwissProt UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2D6 (unknown origin)				J Med Chem 60: 3979-4001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00271 BindingDB Entry DOI: 10.7270/Q2280B21
UT Southwestern Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
15-hydroxyprostaglandin dehydrogenase [NAD+] (Homo sapiens (Human))	BDBM50266122 (CHEMBL4070789) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.30	n/a	n/a	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of recombinant human C-terminal 6xHis-tagged 15-PGDH expressed in Escherichia coli using PGE2 as substrate after 15 mins in presence of NA...				J Med Chem 60: 3979-4001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00271 BindingDB Entry DOI: 10.7270/Q2280B21
UT Southwestern Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Alpha-2A adrenergic receptor (Homo sapiens (Human))	BDBM50266122 (CHEMBL4070789) Show SMILES Show InChI	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	900	n/a	n/a	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Antagonist activity at human A2A receptor by cAMP assay				J Med Chem 60: 3979-4001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00271 BindingDB Entry DOI: 10.7270/Q2280B21
UT Southwestern Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair
Cytochrome P450 2C9 (Homo sapiens (Human))	BDBM50266122 (CHEMBL4070789) Show SMILES Show InChI	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
UT Southwestern Medical Center Curated by ChEMBL					Assay Description Inhibition of CYP2C9 (unknown origin)				J Med Chem 60: 3979-4001 (2017) Article DOI: 10.1021/acs.jmedchem.7b00271 BindingDB Entry DOI: 10.7270/Q2280B21
UT Southwestern Medical Center Curated by ChEMBL					More data for this Ligand-Target Pair