BDBM472918 US10836763, Example 4::US10844057, Example 4

SMILES: CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1

InChI Key: InChIKey=YSQKSTBGDKPMRW-LHQHKOJUSA-N

Data: 7 KI  1 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 8 hits for monomerid = 472918   

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 JAK2 (Homo sapiens (Human))	BDBM472918 (US10836763, Example 4 | US10844057, Example 4) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10836763 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM472918 (US10836763, Example 4 | US10844057, Example 4) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0400	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10844057 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM472918 (US10836763, Example 4 | US10844057, Example 4) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10836763 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM472918 (US10836763, Example 4 | US10844057, Example 4) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10836763 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM472918 (US10836763, Example 4 | US10844057, Example 4) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10844057 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM472918 (US10836763, Example 4 | US10844057, Example 4) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	0.0790	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10844057 (2020)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM472918 (US10836763, Example 4 | US10844057, Example 4) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10836763 (2020)
					More data for this Ligand-Target Pair
Non-receptor tyrosine-protein kinase TYK2 (Homo sapiens (Human))	BDBM472918 (US10836763, Example 4 | US10844057, Example 4) Show SMILES CCc1cc(O)ccc1-c1ccc2c(n[nH]c2c1)-c1nc2C[C@H](N(Cc2[nH]1)C(C)C)C(=O)N1CCCN(C)CC1 |r| Show InChI InChI=1S/C31H37N7O2/c1-5-20-15-22(39)8-10-23(20)21-7-9-24-25(16-21)34-35-29(24)30-32-26-17-28(38(19(2)3)18-27(26)33-30)31(40)37-12-6-11-36(4)13-14-37/h7-10,15-16,19,28,39H,5-6,11-14,17-18H2,1-4H3/b30-29-/t28-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.51	n/a	n/a	n/a	n/a	n/a	n/a
Theravance Biopharma R&D IP, LLC US Patent					Assay Description A panel of four LanthaScreen JAK biochemical assays (JAK1, 2, 3 and Tyk2) were carried in a common kinase reaction buffer (50 mM HEPES, pH 7.5, 0.01%...				US Patent US10844057 (2020)
					More data for this Ligand-Target Pair