BDBM264244 (2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl)amino]-5- methylpyrimidin-4-yl}- 1H-indol-7-yl)-3-methoxy- 2-(4-methylpiperazin-1- yl)propanamide::US9714236, 64

SMILES: CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12

InChI Key: InChIKey=YBBYFCSBODLGRP-HSZRJFAPSA-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 = 264244   

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
JAK1 (aa 866-1154) (Homo sapiens (Human))	BDBM264244 ((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...) Show SMILES CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12 |r| Show InChI InChI=1S/C28H37N9O3/c1-6-40-28-22(16-36(4)34-28)31-24-15-29-18(2)25(33-24)20-14-30-26-19(20)8-7-9-21(26)32-27(38)23(17-39-5)37-12-10-35(3)11-13-37/h7-9,14-16,23,30H,6,10-13,17H2,1-5H3,(H,31,33)(H,32,38)/t23-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	<5	n/a	n/a	n/a	n/a	7.3	n/a
ASTRAZENECA AB US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC
					More data for this Ligand-Target Pair
JAK3 (aa 781-1124) (Homo sapiens (Human))	BDBM264244 ((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...) Show SMILES CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12 |r| Show InChI InChI=1S/C28H37N9O3/c1-6-40-28-22(16-36(4)34-28)31-24-15-29-18(2)25(33-24)20-14-30-26-19(20)8-7-9-21(26)32-27(38)23(17-39-5)37-12-10-35(3)11-13-37/h7-9,14-16,23,30H,6,10-13,17H2,1-5H3,(H,31,33)(H,32,38)/t23-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	>3.00E+4	n/a	n/a	n/a	n/a	7.3	n/a
ASTRAZENECA AB US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC
					More data for this Ligand-Target Pair
JAK2 (aa 831-1132) (Homo sapiens (Human))	BDBM264244 ((2R)-N-(3-{2-[(3- ethoxy-1-methyl-1H- pyrazol-4-yl...) Show SMILES CCOc1nn(C)cc1Nc1cnc(C)c(n1)-c1c[nH]c2c(NC(=O)[C@@H](COC)N3CCN(C)CC3)cccc12 |r| Show InChI InChI=1S/C28H37N9O3/c1-6-40-28-22(16-36(4)34-28)31-24-15-29-18(2)25(33-24)20-14-30-26-19(20)8-7-9-21(26)32-27(38)23(17-39-5)37-12-10-35(3)11-13-37/h7-9,14-16,23,30H,6,10-13,17H2,1-5H3,(H,31,33)(H,32,38)/t23-/m1/s1	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.04E+3	n/a	n/a	n/a	n/a	7.3	n/a
ASTRAZENECA AB US Patent					Assay Description Enzyme inhibition studies were performed using recombinant JAK1 (amino acids 866-1154, Life Technologies, #PV4774, Carlsbad, Calif.), JAK2 (amino aci...				US Patent US9714236 (2017) BindingDB Entry DOI: 10.7270/Q2VQ34PC
					More data for this Ligand-Target Pair