BDBM174027 US9688661, 4-(6-Aminopyrimidin-4-yl)-1-[2-ethyl-5-(trifluoromethyl)phenyl]-1H-pyrrole-2-carboxamide (compd 256)

SMILES: CCc1ccc(cc1-c1cn(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F

InChI Key: InChIKey=SJNAYKPQKOYZEU-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 = 174027   

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))	BDBM174027 (US9688661, 4-(6-Aminopyrimidin-4-yl)-1-[2-ethyl-5-...) Show SMILES CCc1ccc(cc1-c1cn(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F Show InChI InChI=1S/C18H16F3N5O/c1-2-10-3-4-11(18(19,20)21)5-12(10)13-7-26(8-14(13)17(23)27)16-6-15(22)24-9-25-16/h3-9H,2H2,1H3,(H2,23,27)(H2,22,24,25)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	53	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))	BDBM174027 (US9688661, 4-(6-Aminopyrimidin-4-yl)-1-[2-ethyl-5-...) Show SMILES CCc1ccc(cc1-c1cn(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F Show InChI InChI=1S/C18H16F3N5O/c1-2-10-3-4-11(18(19,20)21)5-12(10)13-7-26(8-14(13)17(23)27)16-6-15(22)24-9-25-16/h3-9H,2H2,1H3,(H2,23,27)(H2,22,24,25)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	31	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))	BDBM174027 (US9688661, 4-(6-Aminopyrimidin-4-yl)-1-[2-ethyl-5-...) Show SMILES CCc1ccc(cc1-c1cn(cc1C(N)=O)-c1cc(N)ncn1)C(F)(F)F Show InChI InChI=1S/C18H16F3N5O/c1-2-10-3-4-11(18(19,20)21)5-12(10)13-7-26(8-14(13)17(23)27)16-6-15(22)24-9-25-16/h3-9H,2H2,1H3,(H2,23,27)(H2,22,24,25)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	6	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