BDBM292131 US10100049, Example 14-7

SMILES: CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC3CNC3)CCc2[nH]1

InChI Key: InChIKey=YMYLPNWFTZNCSE-UHFFFAOYSA-N

Data: 4 KI

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 = 292131   

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 (Homo sapiens (Human))	BDBM292131 (US10100049, Example 14-7) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC3CNC3)CCc2[nH]1 Show InChI InChI=1S/C25H27FN6O/c1-2-15-8-23(33)19(26)9-18(15)16-3-4-17-21(7-16)30-31-24(17)25-28-20-5-6-32(13-22(20)29-25)12-14-10-27-11-14/h3-4,7-9,14,27,33H,2,5-6,10-13H2,1H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM292131 (US10100049, Example 14-7) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC3CNC3)CCc2[nH]1 Show InChI InChI=1S/C25H27FN6O/c1-2-15-8-23(33)19(26)9-18(15)16-3-4-17-21(7-16)30-31-24(17)25-28-20-5-6-32(13-22(20)29-25)12-14-10-27-11-14/h3-4,7-9,14,27,33H,2,5-6,10-13H2,1H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM292131 (US10100049, Example 14-7) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC3CNC3)CCc2[nH]1 Show InChI InChI=1S/C25H27FN6O/c1-2-15-8-23(33)19(26)9-18(15)16-3-4-17-21(7-16)30-31-24(17)25-28-20-5-6-32(13-22(20)29-25)12-14-10-27-11-14/h3-4,7-9,14,27,33H,2,5-6,10-13H2,1H3,(H,28,29)(H,30,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	<0.100	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM292131 (US10100049, Example 14-7) Show SMILES CCc1cc(O)c(F)cc1-c1ccc2c(n[nH]c2c1)-c1nc2CN(CC3CNC3)CCc2[nH]1 Show InChI InChI=1S/C25H27FN6O/c1-2-15-8-23(33)19(26)9-18(15)16-3-4-17-21(7-16)30-31-24(17)25-28-20-5-6-32(13-22(20)29-25)12-14-10-27-11-14/h3-4,7-9,14,27,33H,2,5-6,10-13H2,1H3,(H,28,29)(H,30,31)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.660	n/a	n/a	n/a	n/a	n/a	n/a	7.5	n/a
THERAVANCE BIOPHARMA R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAKL 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01% ...				US Patent US10100049 (2018) BindingDB Entry DOI: 10.7270/Q27M09Z8
					More data for this Ligand-Target Pair