BDBM412666 (S)-N-((5-(ethylsulfonyl)pyridin-2-yl)methyl)-7-isopropyl-6-((trans-4-(trifluoromethyl)cyclohexyl)methyl)-6,7-dihydro-5H-pyrrolo[3,4-b]pyridine-3-carboxamide::US10399976, Compound 2::US10807980, Compound 2::US11535614, Compound 2

SMILES: CCS(=O)(=O)c1ccc(nc1)CNC(=O)c2cc3c(nc2)[C@@H](N(C3)CC4CCC(CC4)C(F)(F)F)C(C)C

InChI Key: InChIKey=XUYMIRYNRKXKOR-UHFFFAOYSA-N

Data: 3 KI  5 IC50

PDB links: 1 PDB ID matches 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 8 hits for monomerid = 412666   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Nuclear receptor ROR-gamma (Human)	BDBM412666 (US10399976, Compound 2 | (S)-N-((5-(ethylsulfonyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Human)	BDBM412666 (US10399976, Compound 2 | (S)-N-((5-(ethylsulfonyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Human)	BDBM412666 (US10399976, Compound 2 | (S)-N-((5-(ethylsulfonyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	16	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Human)	BDBM412666 (US10399976, Compound 2 | (S)-N-((5-(ethylsulfonyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	3.70	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Human)	BDBM412666 (US10399976, Compound 2 | (S)-N-((5-(ethylsulfonyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		n/a	n/a	22	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Human)	BDBM412666 (US10399976, Compound 2 | (S)-N-((5-(ethylsulfonyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Human)	BDBM412666 (US10399976, Compound 2 | (S)-N-((5-(ethylsulfonyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Nuclear receptor ROR-gamma (Human)	BDBM412666 (US10399976, Compound 2 | (S)-N-((5-(ethylsulfonyl)...) Show SMILES Show InChI	GoogleScholar	UniChem		<100	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair