Compounds in cluster

11 similar compounds to monomer 50039293

Wt: 384.5 BDBM50039263	Wt: 400.5 BDBM50039265	Wt: 386.5 BDBM50039270	Wt: 384.5 BDBM50039296	Wt: 372.5 BDBM50039308
Wt: 386.5 BDBM50039323	Wt: 400.5 BDBM50043612	Wt: 358.5 BDBM50043606	Wt: 386.5 BDBM50340474	Wt: 400.5 BDBM50340476
Wt: 384.5 BDBM50340483

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 22 hits for monomerid = 50039263,50039265,50039270,50039296,50039308,50039323,50043612,50043606,50340474,50340476,50340483
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
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039323 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	40	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039296 ((1S,9aR,11aS)-9a,11a-Dimethyl-1-(piperidine-1-carb...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	85	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50043612 (9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes				J Med Chem 36: 4313-5 (1994) Article DOI: 10.1021/jm00078a022 BindingDB Entry DOI: 10.7270/Q2PK0F76
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50043606 (9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	720	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes				J Med Chem 36: 4313-5 (1994) Article DOI: 10.1021/jm00078a022 BindingDB Entry DOI: 10.7270/Q2PK0F76
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039308 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039308 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	750	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-alpha reductase-1 at a concentration of 5 microL after preincubation for 10 minutes				J Med Chem 36: 4313-5 (1994) Article DOI: 10.1021/jm00078a022 BindingDB Entry DOI: 10.7270/Q2PK0F76
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039270 ((1S,9aR,11aS)-8,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039265 ((1S,9aR,11aS)-6-Ethyl-9a,11a-dimethyl-7-oxo-2,3,3a...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
5α-Reductase 1 (5α-R1) (Homo sapiens (Human))	BDBM50039263 ((10S,13S,17S)-10,13-Dimethyl-3-oxo-1,2,3,6,7,8,9,1...) Show SMILES Show InChI	Reactome pathway UniProtKB/SwissProt antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1.40E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 1 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039308 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 2 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039263 ((10S,13S,17S)-10,13-Dimethyl-3-oxo-1,2,3,6,7,8,9,1...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 2 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039323 ((1S,9aR,11aS)-6,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 2 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039265 ((1S,9aR,11aS)-6-Ethyl-9a,11a-dimethyl-7-oxo-2,3,3a...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	180	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 2 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039296 ((1S,9aR,11aS)-9a,11a-Dimethyl-1-(piperidine-1-carb...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	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
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 2 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039270 ((1S,9aR,11aS)-8,9a,11a-Trimethyl-7-oxo-2,3,3a,3b,4...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description In vitro inhibitory activity against human type 2 5-alpha reductase				J Med Chem 37: 2352-60 (1994) Article DOI: 10.1021/jm00041a014 BindingDB Entry DOI: 10.7270/Q228088W
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase (Mycobacterium tuberculosis)	BDBM50340483 ((1S,3aS,3bS,8bS,8cS,10aS)-N,N-diethyl-8b,10a-dimet...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.40E+5	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase				Bioorg Med Chem Lett 21: 2216-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.004 BindingDB Entry DOI: 10.7270/Q2Z31ZXD
Stony Brook University Curated by ChEMBL					More data for this Ligand-Target Pair
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase (Mycobacterium tuberculosis)	BDBM50340476 ((1S,3aS,3bS,9aR,9bS,11aS)-N,N,6-triethyl-9a,11a-di...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.60E+5	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase				Bioorg Med Chem Lett 21: 2216-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.004 BindingDB Entry DOI: 10.7270/Q2Z31ZXD
Stony Brook University Curated by ChEMBL					More data for this Ligand-Target Pair
3 beta-hydroxysteroid dehydrogenase/Delta 5-->4-isomerase (Mycobacterium tuberculosis)	BDBM50340474 ((1S,3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-6,9a,11a-tri...) Show SMILES Show InChI	KEGG UniProtKB/SwissProt GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>4.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Stony Brook University Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis 3 beta hydroxysteriod dehydrogenase				Bioorg Med Chem Lett 21: 2216-9 (2011) Article DOI: 10.1016/j.bmcl.2011.03.004 BindingDB Entry DOI: 10.7270/Q2Z31ZXD
Stony Brook University Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50043612 (9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.360	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes				J Med Chem 36: 4313-5 (1994) Article DOI: 10.1021/jm00078a022 BindingDB Entry DOI: 10.7270/Q2PK0F76
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50043606 (9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,7,8,9,9a,9b,10...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes				J Med Chem 36: 4313-5 (1994) Article DOI: 10.1021/jm00078a022 BindingDB Entry DOI: 10.7270/Q2PK0F76
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50340474 ((1S,3aS,3bS,9aR,9bS,11aS)-N,N-diethyl-6,9a,11a-tri...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars		n/a	n/a	3.90	n/a	n/a	n/a	n/a	n/a	n/a
TBA					Assay Description Inhibition of Homo sapiens (human) Steroid 5-alpha-reductase type 2				Citation and Details BindingDB Entry DOI: 10.7270/Q29889WK
TBA					More data for this Ligand-Target Pair
Steroid 5-alpha-reductase (Homo sapiens (Human))	BDBM50039308 ((1S,9aR,11aS)-9a,11a-Dimethyl-7-oxo-2,3,3a,3b,4,5,...) Show SMILES Show InChI	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Glaxo Inc. Research Institute Curated by ChEMBL					Assay Description Inhibition of recombinant human 5-alpha reductase-2 at a concentration of 5 microL after preincubation for 10 minutes				J Med Chem 36: 4313-5 (1994) Article DOI: 10.1021/jm00078a022 BindingDB Entry DOI: 10.7270/Q2PK0F76
Glaxo Inc. Research Institute Curated by ChEMBL					More data for this Ligand-Target Pair