BDBM50012272 CHEMBL1088840

SMILES: CCCCn1c2ccc(CO)cc2c2ccccc2c1=O

InChI Key: InChIKey=UULXHXIRZISPDW-UHFFFAOYSA-N

Data: 4 IC50  1 EC50

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 5 hits for monomerid = 50012272   

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
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM50012272 (CHEMBL1088840) Show SMILES CCCCn1c2ccc(CO)cc2c2ccccc2c1=O Show InChI InChI=1S/C18H19NO2/c1-2-3-10-19-17-9-8-13(12-20)11-16(17)14-6-4-5-7-15(14)18(19)21/h4-9,11,20H,2-3,10,12H2,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-alpha1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM50012272 (CHEMBL1088840) Show SMILES CCCCn1c2ccc(CO)cc2c2ccccc2c1=O Show InChI InChI=1S/C18H19NO2/c1-2-3-10-19-17-9-8-13(12-20)11-16(17)14-6-4-5-7-15(14)18(19)21/h4-9,11,20H,2-3,10,12H2,1H3	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-beta expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair
Niemann-Pick C1 protein (Homo sapiens (Human))	BDBM50012272 (CHEMBL1088840) Show SMILES CCCCn1c2ccc(CO)cc2c2ccccc2c1=O Show InChI InChI=1S/C18H19NO2/c1-2-3-10-19-17-9-8-13(12-20)11-16(17)14-6-4-5-7-15(14)18(19)21/h4-9,11,20H,2-3,10,12H2,1H3	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Chaperone activity at FLAG/GFP-tagged NPC1 I1061T mutant (unknown origin) expressed in HEK293 cells assessed as increase in localization of protein m...				Bioorg Med Chem Lett 27: 2781-2787 (2017) Article DOI: 10.1016/j.bmcl.2017.04.062 BindingDB Entry DOI: 10.7270/Q2RX9G39
					More data for this Ligand-Target Pair
Progesterone receptor (Homo sapiens (Human))	BDBM50012272 (CHEMBL1088840) Show SMILES CCCCn1c2ccc(CO)cc2c2ccccc2c1=O Show InChI InChI=1S/C18H19NO2/c1-2-3-10-19-17-9-8-13(12-20)11-16(17)14-6-4-5-7-15(14)18(19)21/h4-9,11,20H,2-3,10,12H2,1H3	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	8.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Antagonist activity at PR in human T47D cells assessed as inhibition of progesterone-induced alkaline phosphatase activity measured after 24 hrs				ACS Med Chem Lett 9: 641-645 (2018) Article DOI: 10.1021/acsmedchemlett.8b00058 BindingDB Entry DOI: 10.7270/Q2PN986S
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50012272 (CHEMBL1088840) Show SMILES CCCCn1c2ccc(CO)cc2c2ccccc2c1=O Show InChI InChI=1S/C18H19NO2/c1-2-3-10-19-17-9-8-13(12-20)11-16(17)14-6-4-5-7-15(14)18(19)21/h4-9,11,20H,2-3,10,12H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	>2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Tokyo Curated by ChEMBL					Assay Description Inverse agonist activity at human ROR-gamma1 expressed in HEK293 cells after 16 hrs by luciferase reporter gene assay				Bioorg Med Chem 22: 2799-808 (2014) Article DOI: 10.1016/j.bmc.2014.03.007 BindingDB Entry DOI: 10.7270/Q28K7BN8
					More data for this Ligand-Target Pair