BDBM50517814 CHEMBL4461137

SMILES: CC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1

InChI Key: InChIKey=MYONEJYVJVQVAF-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50517814   

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 subfamily 4 group A member 2 (Homo sapiens (Human))	BDBM50517814 (CHEMBL4461137) Show SMILES CC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H17ClN2O/c1-14(25)16-3-2-4-17(11-16)18-7-10-21-23-20(13-24(21)12-18)15-5-8-19(22)9-6-15/h2-14,25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	219	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay				Bioorg Med Chem Lett 29: 929-932 (2019) Article DOI: 10.1016/j.bmcl.2019.01.024
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2 (Homo sapiens (Human))	BDBM50517814 (CHEMBL4461137) Show SMILES CC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H17ClN2O/c1-14(25)16-3-2-4-17(11-16)18-7-10-21-23-20(13-24(21)12-18)15-5-8-19(22)9-6-15/h2-14,25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	75	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay				Bioorg Med Chem Lett 29: 929-932 (2019) Article DOI: 10.1016/j.bmcl.2019.01.024
					More data for this Ligand-Target Pair
Nuclear receptor subfamily 4 group A member 2 (Homo sapiens (Human))	BDBM50517814 (CHEMBL4461137) Show SMILES CC(O)c1cccc(c1)-c1ccc2nc(cn2c1)-c1ccc(Cl)cc1 Show InChI InChI=1S/C21H17ClN2O/c1-14(25)16-3-2-4-17(11-16)18-7-10-21-23-20(13-24(21)12-18)15-5-8-19(22)9-6-15/h2-14,25H,1H3	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	99	n/a	n/a	n/a	n/a
Sanofi Curated by ChEMBL					Assay Description Agonist activity at full-length Gal4-fused NOT (unknown origin) expressed in CHO cells by luciferase reporter gene assay				Bioorg Med Chem Lett 29: 929-932 (2019) Article DOI: 10.1016/j.bmcl.2019.01.024
					More data for this Ligand-Target Pair