BDBM50508392 CHEMBL4435664

SMILES: FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C=C

InChI Key: InChIKey=KAIWXKBZNMXPEK-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 50508392   

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
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50508392 (CHEMBL4435664) Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C=C |t:11| Show InChI InChI=1S/C26H21F3N4O3/c1-2-21(34)33-11-9-32(10-12-33)15-7-8-19(26(27,28)29)17(13-15)22-23(25(36)31-24(22)35)18-14-30-20-6-4-3-5-16(18)20/h2-8,13-14,30H,1,9-12H2,(H,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa...				J Med Chem 62: 1054-1066 (2019) Article DOI: 10.1021/acs.jmedchem.8b01823
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50508392 (CHEMBL4435664) Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C=C |t:11| Show InChI InChI=1S/C26H21F3N4O3/c1-2-21(34)33-11-9-32(10-12-33)15-7-8-19(26(27,28)29)17(13-15)22-23(25(36)31-24(22)35)18-14-30-20-6-4-3-5-16(18)20/h2-8,13-14,30H,1,9-12H2,(H,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	520	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 1 mM ATP by HTRF assa...				J Med Chem 62: 1054-1066 (2019) Article DOI: 10.1021/acs.jmedchem.8b01823
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50508392 (CHEMBL4435664) Show SMILES FC(F)(F)c1ccc(cc1C1=C(C(=O)NC1=O)c1c[nH]c2ccccc12)N1CCN(CC1)C(=O)C=C |t:11| Show InChI InChI=1S/C26H21F3N4O3/c1-2-21(34)33-11-9-32(10-12-33)15-7-8-19(26(27,28)29)17(13-15)22-23(25(36)31-24(22)35)18-14-30-20-6-4-3-5-16(18)20/h2-8,13-14,30H,1,9-12H2,(H,31,35,36)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.5	n/a	n/a	n/a	n/a	n/a	n/a
Peking University Curated by ChEMBL					Assay Description Inhibition of human N-terminal His-tagged JAK3 (795 to 1124 residues) expressed in baculovirus expression system in presence of 6 uM ATP by HTRF assa...				J Med Chem 62: 1054-1066 (2019) Article DOI: 10.1021/acs.jmedchem.8b01823
					More data for this Ligand-Target Pair