BDBM50539838 CHEMBL4647276

SMILES: Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12

InChI Key: InChIKey=XTZXYRVNBGBQEE-MQMHXKEQSA-N

Data: 5 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 5 hits for monomerid = 50539838   

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))	BDBM50539838 (CHEMBL4647276) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(5.37,-16.03,;5.84,-17.49,;4.93,-18.74,;5.84,-19.99,;7.32,-19.52,;8.65,-20.28,;9.98,-19.52,;11.32,-20.29,;9.98,-17.97,;8.65,-17.18,;8.66,-15.64,;7.33,-14.87,;7.34,-13.33,;8.68,-12.56,;8.68,-11.02,;7.36,-10.25,;6.02,-11.01,;7.36,-8.71,;8.45,-7.63,;7.37,-6.54,;6.27,-7.62,;7.38,-5,;7.39,-3.46,;10.01,-13.34,;10,-14.87,;7.32,-17.97,)| Show InChI InChI=1S/C19H23N5O2/c1-11-18-15(7-16(25)21-19(18)23-22-11)14-4-2-12(3-5-14)6-17(26)24-9-13(8-20)10-24/h7,12-14H,2-6,9-10H2,1H3,(H2,21,22,23,25)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	13	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal GST-tagged human JAK1 catalytic domain (850 to 1154 residues) incubated for 40 mins in presence of TK substrate-biotin by TR...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539838 (CHEMBL4647276) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(5.37,-16.03,;5.84,-17.49,;4.93,-18.74,;5.84,-19.99,;7.32,-19.52,;8.65,-20.28,;9.98,-19.52,;11.32,-20.29,;9.98,-17.97,;8.65,-17.18,;8.66,-15.64,;7.33,-14.87,;7.34,-13.33,;8.68,-12.56,;8.68,-11.02,;7.36,-10.25,;6.02,-11.01,;7.36,-8.71,;8.45,-7.63,;7.37,-6.54,;6.27,-7.62,;7.38,-5,;7.39,-3.46,;10.01,-13.34,;10,-14.87,;7.32,-17.97,)| Show InChI InChI=1S/C19H23N5O2/c1-11-18-15(7-16(25)21-19(18)23-22-11)14-4-2-12(3-5-14)6-17(26)24-9-13(8-20)10-24/h7,12-14H,2-6,9-10H2,1H3,(H2,21,22,23,25)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	64	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK2 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM50539838 (CHEMBL4647276) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(5.37,-16.03,;5.84,-17.49,;4.93,-18.74,;5.84,-19.99,;7.32,-19.52,;8.65,-20.28,;9.98,-19.52,;11.32,-20.29,;9.98,-17.97,;8.65,-17.18,;8.66,-15.64,;7.33,-14.87,;7.34,-13.33,;8.68,-12.56,;8.68,-11.02,;7.36,-10.25,;6.02,-11.01,;7.36,-8.71,;8.45,-7.63,;7.37,-6.54,;6.27,-7.62,;7.38,-5,;7.39,-3.46,;10.01,-13.34,;10,-14.87,;7.32,-17.97,)| Show InChI InChI=1S/C19H23N5O2/c1-11-18-15(7-16(25)21-19(18)23-22-11)14-4-2-12(3-5-14)6-17(26)24-9-13(8-20)10-24/h7,12-14H,2-6,9-10H2,1H3,(H2,21,22,23,25)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK2 in human STAT5-irf1-bla TF1 cells assessed as reduction in EPO-induced STAT5-signalling pre-incubated for 1 hrs before EPO additio...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM50539838 (CHEMBL4647276) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(5.37,-16.03,;5.84,-17.49,;4.93,-18.74,;5.84,-19.99,;7.32,-19.52,;8.65,-20.28,;9.98,-19.52,;11.32,-20.29,;9.98,-17.97,;8.65,-17.18,;8.66,-15.64,;7.33,-14.87,;7.34,-13.33,;8.68,-12.56,;8.68,-11.02,;7.36,-10.25,;6.02,-11.01,;7.36,-8.71,;8.45,-7.63,;7.37,-6.54,;6.27,-7.62,;7.38,-5,;7.39,-3.46,;10.01,-13.34,;10,-14.87,;7.32,-17.97,)| Show InChI InChI=1S/C19H23N5O2/c1-11-18-15(7-16(25)21-19(18)23-22-11)14-4-2-12(3-5-14)6-17(26)24-9-13(8-20)10-24/h7,12-14H,2-6,9-10H2,1H3,(H2,21,22,23,25)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of JAK1 in human STAT6-bla-RA1 cells assessed as reduction in IL4-induced STAT6-signalling pre-incubated for 1 hrs before human recombinan...				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM50539838 (CHEMBL4647276) Show SMILES Cc1[nH]nc2[nH]c(=O)cc([C@H]3CC[C@H](CC(=O)N4CC(C4)C#N)CC3)c12 |r,wU:10.9,wD:13.13,(5.37,-16.03,;5.84,-17.49,;4.93,-18.74,;5.84,-19.99,;7.32,-19.52,;8.65,-20.28,;9.98,-19.52,;11.32,-20.29,;9.98,-17.97,;8.65,-17.18,;8.66,-15.64,;7.33,-14.87,;7.34,-13.33,;8.68,-12.56,;8.68,-11.02,;7.36,-10.25,;6.02,-11.01,;7.36,-8.71,;8.45,-7.63,;7.37,-6.54,;6.27,-7.62,;7.38,-5,;7.39,-3.46,;10.01,-13.34,;10,-14.87,;7.32,-17.97,)| Show InChI InChI=1S/C19H23N5O2/c1-11-18-15(7-16(25)21-19(18)23-22-11)14-4-2-12(3-5-14)6-17(26)24-9-13(8-20)10-24/h7,12-14H,2-6,9-10H2,1H3,(H2,21,22,23,25)/t12-,14-	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	PubMed	n/a	n/a	97	n/a	n/a	n/a	n/a	n/a	n/a
GVK Biosciences Private Limited Curated by ChEMBL					Assay Description Inhibition of N-terminal His-tagged human JAK3 catalytic domain incubated for 20 mins in presence of TK substrate-biotin by TR-FRET assay				J Med Chem 63: 7008-7032 (2020)
					More data for this Ligand-Target Pair