BDBM332970 US10196390, Compound I-259::US10336752, Compound 11

SMILES: CCN(CC)C(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1

InChI Key: InChIKey=FEMLEBODPHKMLC-UHFFFAOYSA-N

Data: 2 KI  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 4 hits for monomerid = 332970   

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
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM332970 (US10196390, Compound I-259 | US10336752, Compound ...) Show SMILES CCN(CC)C(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 Show InChI InChI=1S/C24H22F2N4O2/c1-3-30(4-2)24(32)14-8-10-15(11-9-14)28-19-12-18(21-16(25)6-5-7-17(21)26)29-20-13-27-23(31)22(19)20/h5-12H,3-4,13H2,1-2H3,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description The caliper machine employs an off chip mobility shift assay to detect phosphorylated peptide substrates from kinase assays, using microfluidics tech...				US Patent US10196390 (2019) BindingDB Entry DOI: 10.7270/Q22809Q4
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM332970 (US10196390, Compound I-259 | US10336752, Compound ...) Show SMILES CCN(CC)C(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 Show InChI InChI=1S/C24H22F2N4O2/c1-3-30(4-2)24(32)14-8-10-15(11-9-14)28-19-12-18(21-16(25)6-5-7-17(21)26)29-20-13-27-23(31)22(19)20/h5-12H,3-4,13H2,1-2H3,(H,27,31)(H,28,29)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent									US Patent US10196390 (2019) BindingDB Entry DOI: 10.7270/Q22809Q4
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM332970 (US10196390, Compound I-259 | US10336752, Compound ...) Show SMILES CCN(CC)C(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 Show InChI InChI=1S/C24H22F2N4O2/c1-3-30(4-2)24(32)14-8-10-15(11-9-14)28-19-12-18(21-16(25)6-5-7-17(21)26)29-20-13-27-23(31)22(19)20/h5-12H,3-4,13H2,1-2H3,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
Nimbus Lakshmi, Inc. US Patent					Assay Description Compounds were serially diluted in DMSO then further diluted in 1x kinase buffer: 5 uL of buffer diluted compound was added into wells first, then 10...				US Patent US10336752 (2019) BindingDB Entry DOI: 10.7270/Q28054Z6
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM332970 (US10196390, Compound I-259 | US10336752, Compound ...) Show SMILES CCN(CC)C(=O)c1ccc(Nc2cc(nc3CNC(=O)c23)-c2c(F)cccc2F)cc1 Show InChI InChI=1S/C24H22F2N4O2/c1-3-30(4-2)24(32)14-8-10-15(11-9-14)28-19-12-18(21-16(25)6-5-7-17(21)26)29-20-13-27-23(31)22(19)20/h5-12H,3-4,13H2,1-2H3,(H,27,31)(H,28,29)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	119	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair