BDBM50445998 CHEMBL1545268

SMILES: Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCCCC1

InChI Key: InChIKey=SKNKIGYAGQNWSR-UHFFFAOYSA-N

Data: 4 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 4 hits for monomerid = 50445998   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Aldo-keto reductase family 1 member C4 (AK1C4) (Homo sapiens (Human))	BDBM50445998 (CHEMBL1545268) Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCCCC1 Show InChI InChI=1S/C16H22ClN3O/c17-14-4-6-15(7-5-14)18-10-12-20(13-11-18)16(21)19-8-2-1-3-9-19/h4-7H,1-3,8-13H2	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C4 (unknown origin) after 1 hr by competitive fluorescence assay				Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C1 (Homo sapiens (Human))	BDBM50445998 (CHEMBL1545268) Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCCCC1 Show InChI InChI=1S/C16H22ClN3O/c17-14-4-6-15(7-5-14)18-10-12-20(13-11-18)16(21)19-8-2-1-3-9-19/h4-7H,1-3,8-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C1 (unknown origin) after 1 hr by competitive fluorescence assay				Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM
					More data for this Ligand-Target Pair
Aldo-keto reductase family 1 member C2 (Homo sapiens (Human))	BDBM50445998 (CHEMBL1545268) Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCCCC1 Show InChI InChI=1S/C16H22ClN3O/c17-14-4-6-15(7-5-14)18-10-12-20(13-11-18)16(21)19-8-2-1-3-9-19/h4-7H,1-3,8-13H2	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C2 (unknown origin) after 1 hr by competitive fluorescence assay				Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM
					More data for this Ligand-Target Pair
17-beta-Hydroxysteroid Dehydrogenase 5 (17-beta-HSD5, AKR1C3) (Homo sapiens (Human))	BDBM50445998 (CHEMBL1545268) Show SMILES Clc1ccc(cc1)N1CCN(CC1)C(=O)N1CCCCC1 Show InChI InChI=1S/C16H22ClN3O/c17-14-4-6-15(7-5-14)18-10-12-20(13-11-18)16(21)19-8-2-1-3-9-19/h4-7H,1-3,8-13H2	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	3.80E+3	n/a	n/a	n/a	n/a	n/a	n/a
University of Auckland Curated by ChEMBL					Assay Description Inhibition of recombinant AKR1C3 (unknown origin) after 1 hr by competitive fluorescence assay				Bioorg Med Chem 22: 967-77 (2014) Article DOI: 10.1016/j.bmc.2013.12.050 BindingDB Entry DOI: 10.7270/Q25H7HQM
					More data for this Ligand-Target Pair