BDBM174007 US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-5-[6-(methylamino)pyrimidin-4-yl]-1H-pyrrole-3-carboxamide (compd 219)

SMILES: CCc1ccc(cc1-c1nc(cc1C(N)=O)-c1cc(NC)ncn1)C(F)(F)F

InChI Key: InChIKey=MYIUZEFXRWLHAY-UHFFFAOYSA-N

Data: 3 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 = 174007   

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 JAK1 (JAK1) (Homo sapiens (Human))	BDBM174007 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-5...) Show SMILES CCc1ccc(cc1-c1nc(cc1C(N)=O)-c1cc(NC)ncn1)C(F)(F)F Show InChI InChI=1S/C19H17F3N5O/c1-3-10-4-5-11(19(20,21)22)6-12(10)17-13(18(23)28)7-15(27-17)14-8-16(24-2)26-9-25-14/h4-9H,3H2,1-2H3,(H2,23,28)(H,24,25,26)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	14	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the JAK1 kinase domain (residues 861-1152 of the 1154 amino acid long full-length sequence, accession number P23458 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (TYK2) (Homo sapiens (Human))	BDBM174007 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-5...) Show SMILES CCc1ccc(cc1-c1nc(cc1C(N)=O)-c1cc(NC)ncn1)C(F)(F)F Show InChI InChI=1S/C19H17F3N5O/c1-3-10-4-5-11(19(20,21)22)6-12(10)17-13(18(23)28)7-15(27-17)14-8-16(24-2)26-9-25-14/h4-9H,3H2,1-2H3,(H2,23,28)(H,24,25,26)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	46	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the TYK2 kinase domain (residues 833-1187 of the 1187 amino acid long full-length sequence, accession number P29597 of Uni...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM174007 (US9688661, 2-[2-Ethyl-5-(trifluoromethyl)phenyl]-5...) Show SMILES CCc1ccc(cc1-c1nc(cc1C(N)=O)-c1cc(NC)ncn1)C(F)(F)F Show InChI InChI=1S/C19H17F3N5O/c1-3-10-4-5-11(19(20,21)22)6-12(10)17-13(18(23)28)7-15(27-17)14-8-16(24-2)26-9-25-14/h4-9H,3H2,1-2H3,(H2,23,28)(H,24,25,26)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	4	n/a	n/a	n/a	n/a	n/a	n/a
NERVIANO MEDICAL SCIENCES S.R.L. US Patent					Assay Description Assays were performed with the commercially available JAK2 kinase domain (Invitrogen, Eugene, Oreg.) that showed a linear kinetic without prephosphor...				US Patent US9688661 (2017) BindingDB Entry DOI: 10.7270/Q2K35RTP
					More data for this Ligand-Target Pair