BDBM50153595 CHEMBL3775930

SMILES: CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc1ccc(C)cc1C

InChI Key: InChIKey=JSSSSJQKWYAZCL-UHFFFAOYSA-N

Data: 1 IC50  2 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 = 50153595   

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
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50153595 (CHEMBL3775930) Show SMILES CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc1ccc(C)cc1C Show InChI InChI=1S/C23H34N4O/c1-4-27-21(13-11-19-8-6-5-7-9-19)25-26-22(27)14-15-23(28)24-20-12-10-17(2)16-18(20)3/h10,12,16,19H,4-9,11,13-15H2,1-3H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human CYP3A4				ACS Med Chem Lett 7: 23-7 (2016) BindingDB Entry DOI: 10.7270/Q2N58P7P
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Mus musculus)	BDBM50153595 (CHEMBL3775930) Show SMILES CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc1ccc(C)cc1C Show InChI InChI=1S/C23H34N4O/c1-4-27-21(13-11-19-8-6-5-7-9-19)25-26-22(27)14-15-23(28)24-20-12-10-17(2)16-18(20)3/h10,12,16,19H,4-9,11,13-15H2,1-3H3,(H,24,28)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of mouse RORgamma ligand binding domain (Isoleucine 251 to Lysine 516) expressed in CHOK1 cells incubated for 2 days by Gal4 luciferase re...				ACS Med Chem Lett 7: 23-7 (2016) BindingDB Entry DOI: 10.7270/Q2N58P7P
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50153595 (CHEMBL3775930) Show SMILES CCn1c(CCC2CCCCC2)nnc1CCC(=O)Nc1ccc(C)cc1C Show InChI InChI=1S/C23H34N4O/c1-4-27-21(13-11-19-8-6-5-7-9-19)25-26-22(27)14-15-23(28)24-20-12-10-17(2)16-18(20)3/h10,12,16,19H,4-9,11,13-15H2,1-3H3,(H,24,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	900	n/a	n/a	n/a	n/a
Central Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Inhibition of human RORgamma ligand binding domain (Serine 253 to Lysine 518 residues) expressed in CHOK1 cells incubated for 2 days by Gal4 lucifera...				ACS Med Chem Lett 7: 23-7 (2016) BindingDB Entry DOI: 10.7270/Q2N58P7P
					More data for this Ligand-Target Pair