BDBM173937 US9688661, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrrole-2-carbonitrile (compd 72)

SMILES: Cc1ccc(Cl)cc1-c1cn(cc1C#N)-c1cc(N)ncn1

InChI Key: InChIKey=PSZMTRRKARIKBT-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 = 173937   

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))	BDBM173937 (US9688661, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-...) Show SMILES Cc1ccc(Cl)cc1-c1cn(cc1C#N)-c1cc(N)ncn1 Show InChI InChI=1S/C16H12ClN5/c1-10-2-3-12(17)4-13(10)14-8-22(7-11(14)6-18)16-5-15(19)20-9-21-16/h2-5,7-9H,1H3,(H2,19,20,21)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	17	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))	BDBM173937 (US9688661, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-...) Show SMILES Cc1ccc(Cl)cc1-c1cn(cc1C#N)-c1cc(N)ncn1 Show InChI InChI=1S/C16H12ClN5/c1-10-2-3-12(17)4-13(10)14-8-22(7-11(14)6-18)16-5-15(19)20-9-21-16/h2-5,7-9H,1H3,(H2,19,20,21)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	38	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))	BDBM173937 (US9688661, 1-[2-Chloro-5-(trifluoromethyl)phenyl]-...) Show SMILES Cc1ccc(Cl)cc1-c1cn(cc1C#N)-c1cc(N)ncn1 Show InChI InChI=1S/C16H12ClN5/c1-10-2-3-12(17)4-13(10)14-8-22(7-11(14)6-18)16-5-15(19)20-9-21-16/h2-5,7-9H,1H3,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	7	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