BDBM50044159 CHEMBL3314004

SMILES: OC[C@H]1CN(c2cc(NC(=O)c3c(F)cccc3Cl)ccc2O1)S(=O)(=O)c1cccc(c1)C#N

InChI Key: InChIKey=HCQFZBHIZZBEBK-MRXNPFEDSA-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 = 50044159   

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))	BDBM50044159 (CHEMBL3314004) Show SMILES OC[C@H]1CN(c2cc(NC(=O)c3c(F)cccc3Cl)ccc2O1)S(=O)(=O)c1cccc(c1)C#N |r| Show InChI InChI=1S/C23H17ClFN3O5S/c24-18-5-2-6-19(25)22(18)23(30)27-15-7-8-21-20(10-15)28(12-16(13-29)33-21)34(31,32)17-4-1-3-14(9-17)11-26/h1-10,16,29H,12-13H2,(H,27,30)/t16-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	<1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at human RoRc-LBD expressed in cells assessed as SRC1 to 2 coactivator peptide recruitment				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50044159 (CHEMBL3314004) Show SMILES OC[C@H]1CN(c2cc(NC(=O)c3c(F)cccc3Cl)ccc2O1)S(=O)(=O)c1cccc(c1)C#N |r| Show InChI InChI=1S/C23H17ClFN3O5S/c24-18-5-2-6-19(25)22(18)23(30)27-15-7-8-21-20(10-15)28(12-16(13-29)33-21)34(31,32)17-4-1-3-14(9-17)11-26/h1-10,16,29H,12-13H2,(H,27,30)/t16-/m1/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Agonist activity at RoRc-LBD (unknown origin) expressed in HEK293 cells assessed as transcriptional activity by GAL4 reporter assay				J Med Chem 57: 5871-92 (2014) Article DOI: 10.1021/jm401901d BindingDB Entry DOI: 10.7270/Q2M0473Z
					More data for this Ligand-Target Pair