BDBM387171 3-(5-((5-chloro-2-((1-(pyridin-2-yl)-1H-pyrazol-4-yl)amino)pyrimidin-4-yl)amino)hexahydrocyclopenta[c]pyrrol-2(1H)-yl)-3-oxopropanenitrile::US9938257, Example 7

SMILES: Clc1cnc(Nc2cnn(c2)-c2ccccn2)nc1NC1CC2CN(CC2C1)C(=O)CC#N

InChI Key: InChIKey=SUFQAOLKAMDVKJ-UHFFFAOYSA-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 = 387171   

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))	BDBM387171 (3-(5-((5-chloro-2-((1-(pyridin-2-yl)-1H-pyrazol-4-...) Show SMILES Clc1cnc(Nc2cnn(c2)-c2ccccn2)nc1NC1CC2CN(CC2C1)C(=O)CC#N Show InChI InChI=1S/C22H22ClN9O/c23-18-10-26-22(29-17-9-27-32(13-17)19-3-1-2-6-25-19)30-21(18)28-16-7-14-11-31(12-15(14)8-16)20(33)4-5-24/h1-3,6,9-10,13-16H,4,7-8,11-12H2,(H2,26,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.600	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK1:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM387171 (3-(5-((5-chloro-2-((1-(pyridin-2-yl)-1H-pyrazol-4-...) Show SMILES Clc1cnc(Nc2cnn(c2)-c2ccccn2)nc1NC1CC2CN(CC2C1)C(=O)CC#N Show InChI InChI=1S/C22H22ClN9O/c23-18-10-26-22(29-17-9-27-32(13-17)19-3-1-2-6-25-19)30-21(18)28-16-7-14-11-31(12-15(14)8-16)20(33)4-5-24/h1-3,6,9-10,13-16H,4,7-8,11-12H2,(H2,26,28,29,30)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	20	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description JAK2:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding white...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair
Aurora kinase A (Homo sapiens (Human))	BDBM387171 (3-(5-((5-chloro-2-((1-(pyridin-2-yl)-1H-pyrazol-4-...) Show SMILES Clc1cnc(Nc2cnn(c2)-c2ccccn2)nc1NC1CC2CN(CC2C1)C(=O)CC#N Show InChI InChI=1S/C22H22ClN9O/c23-18-10-26-22(29-17-9-27-32(13-17)19-3-1-2-6-25-19)30-21(18)28-16-7-14-11-31(12-15(14)8-16)20(33)4-5-24/h1-3,6,9-10,13-16H,4,7-8,11-12H2,(H2,26,28,29,30)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	8	n/a	n/a	n/a	n/a	n/a	n/a
GSK					Assay Description Aurora-A:Kinase assays can be performed by measurement of incorporation of γ-33P ATP into immobilized myelin basic protein (MBP). High binding w...				J Med Chem 51: 4632-40 (2008) BindingDB Entry DOI: 10.7270/Q2X350S7
					More data for this Ligand-Target Pair