BDBM50519891 CHEMBL4452679

SMILES: OC(=O)c1ccc(CNC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1

InChI Key: InChIKey=RMGQJCNBTIGHCZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50519891   

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))	BDBM50519891 (CHEMBL4452679) Show SMILES OC(=O)c1ccc(CNC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(66.78,-52.93,;67.54,-51.6,;69.08,-51.59,;66.77,-50.26,;65.23,-50.27,;64.45,-48.94,;65.22,-47.61,;64.45,-46.28,;62.92,-46.28,;62.17,-47.6,;62.93,-48.92,;60.65,-47.6,;59.37,-48.52,;58.15,-47.59,;58.62,-46.13,;60.18,-46.14,;61.09,-44.89,;62.63,-45.05,;63.55,-43.8,;62.92,-42.4,;61.37,-42.22,;60.46,-43.47,;59.41,-50.06,;60.74,-50.81,;62.07,-50.02,;60.77,-52.34,;59.44,-53.14,;58.09,-52.38,;58.08,-50.84,;56.73,-50.09,;56.72,-48.56,;55.43,-50.86,;55.41,-49.32,;66.76,-47.59,;67.53,-48.92,)| Show InChI InChI=1S/C25H16ClF3N2O4/c26-18-8-4-7-17(25(27,28)29)19(18)21-20(22(35-31-21)15-5-2-1-3-6-15)23(32)30-13-14-9-11-16(12-10-14)24(33)34/h1-12H,13H2,(H,30,32)(H,33,34)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	8.76E+3	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Inverse agonist activity at human N-terminal His6-tagged RORgammat LBD (265 to 518 residues) expressed in Escherichia coli BL21 (DE3) assessed as inh...				J Med Chem 63: 241-259 (2020) Article DOI: 10.1021/acs.jmedchem.9b01372
					More data for this Ligand-Target Pair
Peroxisome proliferator-activated receptor (Homo sapiens (Human))	BDBM50519891 (CHEMBL4452679) Show SMILES OC(=O)c1ccc(CNC(=O)c2c(noc2-c2ccccc2)-c2c(Cl)cccc2C(F)(F)F)cc1 |(66.78,-52.93,;67.54,-51.6,;69.08,-51.59,;66.77,-50.26,;65.23,-50.27,;64.45,-48.94,;65.22,-47.61,;64.45,-46.28,;62.92,-46.28,;62.17,-47.6,;62.93,-48.92,;60.65,-47.6,;59.37,-48.52,;58.15,-47.59,;58.62,-46.13,;60.18,-46.14,;61.09,-44.89,;62.63,-45.05,;63.55,-43.8,;62.92,-42.4,;61.37,-42.22,;60.46,-43.47,;59.41,-50.06,;60.74,-50.81,;62.07,-50.02,;60.77,-52.34,;59.44,-53.14,;58.09,-52.38,;58.08,-50.84,;56.73,-50.09,;56.72,-48.56,;55.43,-50.86,;55.41,-49.32,;66.76,-47.59,;67.53,-48.92,)| Show InChI InChI=1S/C25H16ClF3N2O4/c26-18-8-4-7-17(25(27,28)29)19(18)21-20(22(35-31-21)15-5-2-1-3-6-15)23(32)30-13-14-9-11-16(12-10-14)24(33)34/h1-12H,13H2,(H,30,32)(H,33,34)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>5.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
Technische Universiteit Eindhoven Curated by ChEMBL					Assay Description Inverse agonist activity at His6-tagged PPARgamma LBD (unknown origin) assessed as inhibition of rosiglitazone-induced N-terminal biotinylated co-act...				J Med Chem 63: 241-259 (2020) Article DOI: 10.1021/acs.jmedchem.9b01372
					More data for this Ligand-Target Pair