BDBM50239073 CHEMBL4097986

SMILES: Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(-c3ccccc3)c(Cl)c2c1

InChI Key: InChIKey=SJFDOXSZJJKUCV-UHFFFAOYSA-N

Data: 1 IC50  1 Kd

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 2 hits for monomerid = 50239073   

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-gamma (RORC) (Homo sapiens (Human))	BDBM50239073 (CHEMBL4097986) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C29H23ClF3N5O/c1-37-17-34-16-24(37)28(39,20-9-11-23(35-15-20)29(31,32)33)19-8-10-22-21(14-19)26(30)25(18-6-3-2-4-7-18)27(36-22)38-12-5-13-38/h2-4,6-11,14-17,39H,5,12-13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	6	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Displacement of 1,8-ANS from recombinant human RORgammat LBD expressed in Escherichia coli BL21 (DE3) cells assessed as inhibition of co-activator SR...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50239073 (CHEMBL4097986) Show SMILES Cn1cncc1C(O)(c1ccc(nc1)C(F)(F)F)c1ccc2nc(N3CCC3)c(-c3ccccc3)c(Cl)c2c1 Show InChI InChI=1S/C29H23ClF3N5O/c1-37-17-34-16-24(37)28(39,20-9-11-23(35-15-20)29(31,32)33)19-8-10-22-21(14-19)26(30)25(18-6-3-2-4-7-18)27(36-22)38-12-5-13-38/h2-4,6-11,14-17,39H,5,12-13H2,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	50	n/a	n/a	n/a	n/a	n/a	n/a
Janssen Research and Development Curated by ChEMBL					Assay Description Inverse agonist activity at GAL4 DBD-fused human RORgammat expressed in HEK293T cells assessed as inhibition of transcriptional activity after 24 hrs...				Bioorg Med Chem Lett 27: 2047-2057 (2017) Article DOI: 10.1016/j.bmcl.2017.02.044 BindingDB Entry DOI: 10.7270/Q25H7JCJ
					More data for this Ligand-Target Pair