BDBM392144 US10301272, Example 15/6

SMILES: CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl

InChI Key: InChIKey=UEXPQLLLMKWEBF-UHFFFAOYSA-N

Data: 4 IC50  2 Kd  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 8 hits for monomerid = 392144   

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
Isoform 2 of Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM392144 (US10301272, Example 15/6) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(37-22)24(32)31-12-26(13-31)14-38(33,34)15-26/h9-10,16,30H,4-8,11-15H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Determination of a ligand mediated Gal4 promoter driven transactivation to quantify ligand binding to RORγ was performed as follows: DNA encodin...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM392144 (US10301272, Example 15/6) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(37-22)24(32)31-12-26(13-31)14-38(33,34)15-26/h9-10,16,30H,4-8,11-15H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7.94	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Cells were incubated for additional 16 h before firefly (FF) luciferase activities were measured sequentially in the same cell extract using a Dual-L...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Isoform 2 of Nuclear receptor ROR-gamma (Homo sapiens (Human))	BDBM392144 (US10301272, Example 15/6) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(37-22)24(32)31-12-26(13-31)14-38(33,34)15-26/h9-10,16,30H,4-8,11-15H2,1-3H3	PDB UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6.31	n/a	n/a	n/a	n/a	n/a	n/a
Boehringer Ingelheim Pharmaceuticals Inc.					Assay Description Cells were incubated for additional 16 h before renilla (REN) luciferase activities were measured sequentially in the same cell extract using a Dual-...				J Med Chem 52: 1814-27 (2009) BindingDB Entry DOI: 10.7270/Q2S184TJ
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM392144 (US10301272, Example 15/6) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(37-22)24(32)31-12-26(13-31)14-38(33,34)15-26/h9-10,16,30H,4-8,11-15H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	35	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human whole blood assessed as reduction in IL17A production				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM392144 (US10301272, Example 15/6) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(37-22)24(32)31-12-26(13-31)14-38(33,34)15-26/h9-10,16,30H,4-8,11-15H2,1-3H3	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	1.10E+4	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Binding affinity to recombinant human RORbeta LBD (201 to 452 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermofluo...				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM392144 (US10301272, Example 15/6) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(37-22)24(32)31-12-26(13-31)14-38(33,34)15-26/h9-10,16,30H,4-8,11-15H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at RORgammat in human CD4 positive T cells assessed as inhibition of IL17A production in human Th17 cells after 1 hr				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM392144 (US10301272, Example 15/6) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(37-22)24(32)31-12-26(13-31)14-38(33,34)15-26/h9-10,16,30H,4-8,11-15H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.90	n/a	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Inverse agonist activity at human GAL4 DBD-fused RORgammat LBD (237 to 497 residues) expressed in HEK293T cells assessed as reduction in ROR mediated...				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (RORC) (Homo sapiens (Human))	BDBM392144 (US10301272, Example 15/6) Show SMILES CC(C)(C)NS(=O)(=O)c1ccc(-c2sc(nc2CC2CCCCC2)C(=O)N2CC3(C2)CS(=O)(=O)C3)c(Cl)c1Cl Show InChI InChI=1S/C26H33Cl2N3O5S3/c1-25(2,3)30-39(35,36)19-10-9-17(20(27)21(19)28)22-18(11-16-7-5-4-6-8-16)29-23(37-22)24(32)31-12-26(13-31)14-38(33,34)15-26/h9-10,16,30H,4-8,11-15H2,1-3H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	0.770	n/a	n/a	n/a	n/a	n/a
Phenex Pharmaceuticals AG Curated by ChEMBL					Assay Description Binding affinity to recombinant human RORgamma LBD (237 to 497 residues) expressed in Escherichia coli BL21 (DE3) GOLD by 1,8-ANS dye-based thermoflu...				Bioorg Med Chem Lett 28: 1446-1455 (2018) Article DOI: 10.1016/j.bmcl.2018.03.093 BindingDB Entry DOI: 10.7270/Q27W6FPC
					More data for this Ligand-Target Pair