BDBM410199 US10370379, Compound 16

SMILES: NS(=O)(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1

InChI Key: InChIKey=INLXWJAQBOCGMR-DZGCQCFKSA-N

Data: 1 IC50

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 2 hits for monomerid = 410199   

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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410199 (US10370379, Compound 16 | US11059827, Compound 16) Show SMILES NS(=O)(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C17H14F2N6O2S/c18-12-3-10(4-14(5-12)28(21,26)27)15-6-13(19)9-24(15)16-1-2-25-17(23-16)11(7-20)8-22-25/h1-5,8,13,15H,6,9H2,(H2,21,26,27)/t13-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid 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
High affinity nerve growth factor receptor (Homo sapiens (Human))	BDBM410199 (US10370379, Compound 16 | US11059827, Compound 16) Show SMILES NS(=O)(=O)c1cc(F)cc(c1)[C@H]1C[C@H](F)CN1c1ccn2ncc(C#N)c2n1 |r| Show InChI InChI=1S/C17H14F2N6O2S/c18-12-3-10(4-14(5-12)28(21,26)27)15-6-13(19)9-24(15)16-1-2-25-17(23-16)11(7-20)8-22-25/h1-5,8,13,15H,6,9H2,(H2,21,26,27)/t13-,15+/m0/s1	PDB MMDB UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<10	n/a	n/a	n/a	n/a	n/a	n/a
BLUEPRINT MEDICINES CORPORATION US Patent					Assay Description In each well of a 384-well plate, 1 nM-1.5 nM of wild type NTRK1 enzyme (BPS Bioscience; 40280) was incubated in a total of 12.5 μL of buffer (1...				US Patent US10370379 (2019) BindingDB Entry DOI: 10.7270/Q2TM7DG5
					More data for this Ligand-Target Pair