US11008336, Example 64 1-[(1S)-1-(4- Cyanophenyl)ethyl]- N-[4- (ethylsulfonyl)benzyl]- 4',5'- dihydrospiro[piperidine- 4,7'-thieno[2,3- c]pyran]-2'- carboxamide

SMILES: CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1

InChI Key: InChIKey=FGGIUCGEJCQJDD-NRFANRHFSA-N

Data: 3 KI

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 = 498080   

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 (Homo sapiens (Human))	BDBM498080 (1-[(1S)-1-(4- Cyanophenyl)ethyl]- N-[4- (ethylsulf...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r| Show InChI InChI=1S/C30H33N3O4S2/c1-3-39(35,36)26-10-6-23(7-11-26)20-32-29(34)27-18-25-12-17-37-30(28(25)38-27)13-15-33(16-14-30)21(2)24-8-4-22(19-31)5-9-24/h4-11,18,21H,3,12-17,20H2,1-2H3,(H,32,34)/t21-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	15.8	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...				US Patent US11008336 (2021)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-alpha (Homo sapiens (Human))	BDBM498080 (1-[(1S)-1-(4- Cyanophenyl)ethyl]- N-[4- (ethylsulf...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r| Show InChI InChI=1S/C30H33N3O4S2/c1-3-39(35,36)26-10-6-23(7-11-26)20-32-29(34)27-18-25-12-17-37-30(28(25)38-27)13-15-33(16-14-30)21(2)24-8-4-22(19-31)5-9-24/h4-11,18,21H,3,12-17,20H2,1-2H3,(H,32,34)/t21-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	3.27E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...				US Patent US11008336 (2021)
					More data for this Ligand-Target Pair
Nuclear receptor ROR-beta (Homo sapiens (Human))	BDBM498080 (1-[(1S)-1-(4- Cyanophenyl)ethyl]- N-[4- (ethylsulf...) Show SMILES CCS(=O)(=O)c1ccc(CNC(=O)c2cc3CCOC4(CCN(CC4)[C@@H](C)c4ccc(cc4)C#N)c3s2)cc1 |r| Show InChI InChI=1S/C30H33N3O4S2/c1-3-39(35,36)26-10-6-23(7-11-26)20-32-29(34)27-18-25-12-17-37-30(28(25)38-27)13-15-33(16-14-30)21(2)24-8-4-22(19-31)5-9-24/h4-11,18,21H,3,12-17,20H2,1-2H3,(H,32,34)/t21-/m0/s1	PDB MMDB Reactome pathway UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	>2.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Eli Lilly and Company US Patent					Assay Description Receptor competition binding assays are run in a buffer made up of DPBS (1 L) (Hyclone #SH30028.03), 2.2 g BSA Fraction v (Roche #9048-46-8), 100 mL ...				US Patent US11008336 (2021)
					More data for this Ligand-Target Pair