null

SMILES: Cc1cc(=O)nc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)n12

InChI Key: InChIKey=SXDANHSUZITSHM-GOEBONIOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 452585   

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
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452585 (7-((3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- ...) Show SMILES Cc1cc(=O)nc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)n12 |r| Show InChI InChI=1S/C21H18ClN5O4/c1-12-8-18(28)23-17-6-7-26(21(29)27(12)17)10-19-24-20(25-31-19)14-9-16(30-11-14)13-2-4-15(22)5-3-13/h2-8,14,16H,9-11H2,1H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.80	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020)
					More data for this Ligand-Target Pair
Transient receptor potential cation channel subfamily A member 1 (Homo sapiens (Human))	BDBM452585 (7-((3-((3-((3R,5R)-5-(4- chlorophenyl)tetrahydro- ...) Show SMILES Cc1cc(=O)nc2ccn(Cc3nc(no3)[C@@H]3CO[C@H](C3)c3ccc(Cl)cc3)c(=O)n12 |r| Show InChI InChI=1S/C21H18ClN5O4/c1-12-8-18(28)23-17-6-7-26(21(29)27(12)17)10-19-24-20(25-31-19)14-9-16(30-11-14)13-2-4-15(22)5-3-13/h2-8,14,16H,9-11H2,1H3/t14-,16+/m0/s1	PDB KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	9.26	n/a	n/a	n/a	n/a	n/a	n/a
Genentech, Inc. US Patent					Assay Description The IC50 (effective concentration) of compounds on the human TRPA1 channel was determined using a FLIPR Tetra instrument. CHO cells expressing TRPA1 ...				US Patent US10710994 (2020)
					More data for this Ligand-Target Pair