BDBM400567 US10695337, Example 323::US9999619, Example 323

SMILES: Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2c(F)cnc3[nH]ccc23)c(F)c1

InChI Key: InChIKey=MFJNAWBKFSYMLB-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 400567   

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
JAK1 (aa 837-1142) (Homo sapiens (Human))	BDBM400567 (US10695337, Example 323 | US9999619, Example 323) Show SMILES Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2c(F)cnc3[nH]ccc23)c(F)c1 Show InChI InChI=1S/C27H25F2N7O2/c28-22-11-19(37)1-2-20(22)26(38)34-9-4-18(5-10-34)35-15-27(16-35,6-7-30)36-14-17(12-33-36)24-21-3-8-31-25(21)32-13-23(24)29/h1-3,8,11-14,18,37H,4-6,9-10,15-16H2,(H,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
Tyrosine-protein kinase JAK2 (aa 828-1132) (Homo sapiens (Human))	BDBM400567 (US10695337, Example 323 | US9999619, Example 323) Show SMILES Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2c(F)cnc3[nH]ccc23)c(F)c1 Show InChI InChI=1S/C27H25F2N7O2/c28-22-11-19(37)1-2-20(22)26(38)34-9-4-18(5-10-34)35-15-27(16-35,6-7-30)36-14-17(12-33-36)24-21-3-8-31-25(21)32-13-23(24)29/h1-3,8,11-14,18,37H,4-6,9-10,15-16H2,(H,31,32)	PDB MMDB KEGG B.MOAD DrugBank 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
Incyte Holdings Corporation; Incyte Corporation US Patent					Assay Description The catalytic domains of human JAK1 (a.a. 837-1142), Jak2 (a.a. 828-1132) and Jak3 (a.a. 781-1124) with an N-terminal His tag were expressed using ba...				US Patent US10695337 (2020)
					More data for this Ligand-Target Pair
JAK1 (aa 837-1142) (Homo sapiens (Human))	BDBM400567 (US10695337, Example 323 | US9999619, Example 323) Show SMILES Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2c(F)cnc3[nH]ccc23)c(F)c1 Show InChI InChI=1S/C27H25F2N7O2/c28-22-11-19(37)1-2-20(22)26(38)34-9-4-18(5-10-34)35-15-27(16-35,6-7-30)36-14-17(12-33-36)24-21-3-8-31-25(21)32-13-23(24)29/h1-3,8,11-14,18,37H,4-6,9-10,15-16H2,(H,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
Incyte Holdings Corporation; Incyte Corporation US Patent					Assay Description The catalytic domains of human JAK1 (a.a. 837-1142), Jak2 (a.a. 828-1132) and Jak3 (a.a. 781-1124) with an N-terminal His tag were expressed using ba...				US Patent US10695337 (2020)
					More data for this Ligand-Target Pair
JAK2 (aa 828-1132) (Homo sapiens (Human))	BDBM400567 (US10695337, Example 323 | US9999619, Example 323) Show SMILES Oc1ccc(C(=O)N2CCC(CC2)N2CC(CC#N)(C2)n2cc(cn2)-c2c(F)cnc3[nH]ccc23)c(F)c1 Show InChI InChI=1S/C27H25F2N7O2/c28-22-11-19(37)1-2-20(22)26(38)34-9-4-18(5-10-34)35-15-27(16-35,6-7-30)36-14-17(12-33-36)24-21-3-8-31-25(21)32-13-23(24)29/h1-3,8,11-14,18,37H,4-6,9-10,15-16H2,(H,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