BDBM277328 (S)-tert-butyl 4-ethyl-4-(3- ((3-methyl-4-(3- methylmorpholine-4- carbonyl)phenyl)amino)-4- oxo-4,5-dihydro-1H- pyrazolo[4,3-c] pyridin-1- yl) piperidine-1- carboxylate::US10072025, Example 2-6

SMILES: CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O

InChI Key: InChIKey=LTCPXQDINYBYHF-NRFANRHFSA-N

Data: 2 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 2 hits for monomerid = 277328   

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))	BDBM277328 ((S)-tert-butyl 4-ethyl-4-(3- ((3-methyl-4-(3- meth...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C31H42N6O5/c1-7-31(11-14-35(15-12-31)29(40)42-30(4,5)6)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(20(2)18-22)28(39)36-16-17-41-19-21(36)3/h8-10,13,18,21H,7,11-12,14-17,19H2,1-6H3,(H,32,38)(H,33,34)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	n/a
Merck Sharp & Dohme Corp. US Patent									US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK1 (Homo sapiens (Human))	BDBM277328 ((S)-tert-butyl 4-ethyl-4-(3- ((3-methyl-4-(3- meth...) Show SMILES CCC1(CCN(CC1)C(=O)OC(C)(C)C)n1nc(Nc2ccc(C(=O)N3CCOC[C@@H]3C)c(C)c2)c2c1cc[nH]c2=O |r| Show InChI InChI=1S/C31H42N6O5/c1-7-31(11-14-35(15-12-31)29(40)42-30(4,5)6)37-24-10-13-32-27(38)25(24)26(34-37)33-22-8-9-23(20(2)18-22)28(39)36-16-17-41-19-21(36)3/h8-10,13,18,21H,7,11-12,14-17,19H2,1-6H3,(H,32,38)(H,33,34)/t21-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.510	n/a	n/a	n/a	n/a	n/a	25
Merck Sharp & Dohme Corp. US Patent					Assay Description The ability of compounds to inhibit the activity of JAK1, JAK2, JAK3, and Tyk2 was measured using a recombinant purified GST-tagged catalytic domain ...				US Patent US10072025 (2018) BindingDB Entry DOI: 10.7270/Q2KS6TKN
					More data for this Ligand-Target Pair