BDBM50044164 CHEMBL3314007

SMILES: OC(=O)c1ccc(cc1O)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12

InChI Key: InChIKey=HCVYKPCTDSMHCB-UHFFFAOYSA-N

Data: 2 IC50  1 EC50

PDB links: 14 PDB IDs match this monomer.

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 = 50044164   

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))	BDBM50044164 (CHEMBL3314007) Show SMILES OC(=O)c1ccc(cc1O)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C22H11ClF4N2O4/c23-13-4-1-3-12(22(25,26)27)17(13)20(31)29-15-6-2-5-14(24)18(15)19(28-29)10-7-8-11(21(32)33)16(30)9-10/h1-9,30H,(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	<50	n/a	n/a	n/a	n/a
Genentech Curated by ChEMBL					Assay Description Inverse agonist activity at human RoRc-LBD fusion protein with GST expressed in BL-21 (BL3) cells assessed as SRC1 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))	BDBM50044164 (CHEMBL3314007) Show SMILES OC(=O)c1ccc(cc1O)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C22H11ClF4N2O4/c23-13-4-1-3-12(22(25,26)27)17(13)20(31)29-15-6-2-5-14(24)18(15)19(28-29)10-7-8-11(21(32)33)16(30)9-10/h1-9,30H,(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	3	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of recombinant His6-tagged RORgammat LBD (unknown origin) expressed in Escherichia coli BL21(DE3) assessed as inhibition of bio...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM50044164 (CHEMBL3314007) Show SMILES OC(=O)c1ccc(cc1O)-c1nn(C(=O)c2c(Cl)cccc2C(F)(F)F)c2cccc(F)c12 Show InChI InChI=1S/C22H11ClF4N2O4/c23-13-4-1-3-12(22(25,26)27)17(13)20(31)29-15-6-2-5-14(24)18(15)19(28-29)10-7-8-11(21(32)33)16(30)9-10/h1-9,30H,(H,32,33)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Patents Similars	Article PubMed	n/a	n/a	17	n/a	n/a	n/a	n/a	n/a	n/a
Merck & Co., Inc. Curated by ChEMBL					Assay Description Allosteric inhibition of yeast GAL4 DNA domain-fused RORgammat LBD (97 to 518 residues) (unknown origin) expressed in HEK293T cells after 20 to 22 hr...				ACS Med Chem Lett 11: 114-119 (2020) Article DOI: 10.1021/acsmedchemlett.9b00431
					More data for this Ligand-Target Pair