BDBM400421 US9999619, Example 176

SMILES: Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1F

InChI Key: InChIKey=YPAZKLQPBCGWIR-UHFFFAOYSA-N

Data: 2 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 = 400421   

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
JAK2 (aa 828-1132) (Homo sapiens (Human))	BDBM400421 (US9999619, Example 176) Show SMILES Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1F Show InChI InChI=1S/C26H25F2N9O/c27-21-2-1-18(11-22(21)28)34-25(38)35-9-4-19(5-10-35)36-14-26(15-36,6-7-29)37-13-17(12-33-37)23-20-3-8-30-24(20)32-16-31-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,34,38)(H,30,31,32)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair
JAK1 (aa 837-1142) (Homo sapiens (Human))	BDBM400421 (US9999619, Example 176) Show SMILES Fc1ccc(NC(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2ncnc3[nH]ccc23)cc1F Show InChI InChI=1S/C26H25F2N9O/c27-21-2-1-18(11-22(21)28)34-25(38)35-9-4-19(5-10-35)36-14-26(15-36,6-7-29)37-13-17(12-33-37)23-20-3-8-30-24(20)32-16-31-23/h1-3,8,11-13,16,19H,4-6,9-10,14-15H2,(H,34,38)(H,30,31,32)	PDB 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
Pfizer					Assay Description Compounds herein were tested for inhibitory activity of JAK targets according to the following in vitro assay described in Park et al., Analytical Bi...				Bioorg Med Chem 16: 4883-907 (2008) BindingDB Entry DOI: 10.7270/Q2C82CNM
					More data for this Ligand-Target Pair