BDBM128101 US10206907, Compound 330::US8796457, 1::US9505754, 1

SMILES: CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12

InChI Key: InChIKey=MPYACSQFXVMWNO-UHFFFAOYSA-N

Data: 8 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 = 128101   

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))	BDBM128101 (US10206907, Compound 330 | US8796457, 1 | US950575...) Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	25
Galapagos NV US Patent					Assay Description Recombinant human JAK1 (catalytic domain, amino acids 866-1154; catalog number PV4774) was purchased from Invitrogen. 1 ng of JAK1 was incubated with...				US Patent US8796457 (2014) BindingDB Entry DOI: 10.7270/Q2XK8D70
					More data for this Ligand-Target Pair
JAK1 (aa 866-1154) (Homo sapiens (Human))	BDBM128101 (US10206907, Compound 330 | US8796457, 1 | US950575...) Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	6.60	n/a	n/a	n/a	n/a	n/a	25
GALAPAGOS NV US Patent					Assay Description Recombinant human JAK1 (catalytic domain, amino acids 866-1154; catalog number PV4774) was purchased from Invitrogen. 1 ng of JAK1 was incubated with...				US Patent US9505754 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VDQ
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK2 (Homo sapiens (Human))	BDBM128101 (US10206907, Compound 330 | US8796457, 1 | US950575...) Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	67	n/a	n/a	n/a	n/a	n/a	25
GALAPAGOS NV US Patent					Assay Description Recombinant human JAK2 (catalytic domain, amino acids 866-1154; catalog number PV4210) was purchased from Invitrogen. 0.0125 mU of JAK2 was incubated...				US Patent US9505754 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VDQ
					More data for this Ligand-Target Pair
JAK1 (aa 850-1154) (Homo sapiens (Human))	BDBM128101 (US10206907, Compound 330 | US8796457, 1 | US950575...) Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description Recombinant human JAK1 catalytic domain (amino acids 850-1154; catalog number 08-144) was purchased from Carna Biosciences. 10 ng of JAK1 was incubat...				US Patent US10206907 (2019) BindingDB Entry DOI: 10.7270/Q23J3G3B
					More data for this Ligand-Target Pair
TYK2 (aa 871-1187) (Homo sapiens (Human))	BDBM128101 (US10206907, Compound 330 | US8796457, 1 | US950575...) Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	219	n/a	n/a	n/a	n/a	7.5	30
GALAPAGOS NV US Patent					Assay Description Recombinant human TYK2 catalytic domain (amino acids 871-1187; catalog number 08-147) was purchased from Carna biosciences. 5 ng of TYK2 was incubate...				US Patent US9505754 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VDQ
					More data for this Ligand-Target Pair
JAK2 (aa 808-1132) (Homo sapiens (Human))	BDBM128101 (US10206907, Compound 330 | US8796457, 1 | US950575...) Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	300	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description Recombinant human JAK2 catalytic domain (amino acids 808-1132; catalog number PV4210) was purchased from Invitrogen. 0.025 mU of JAK2 was incubated w...				US Patent US10206907 (2019) BindingDB Entry DOI: 10.7270/Q23J3G3B
					More data for this Ligand-Target Pair
JAK3 (aa 781-1124) (Homo sapiens (Human))	BDBM128101 (US10206907, Compound 330 | US8796457, 1 | US950575...) Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	<100	n/a	n/a	n/a	n/a	n/a	n/a
GALAPAGOS NV US Patent					Assay Description Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) was purchased from Invitrogen. 0.025 mU of JAK3 was incubated w...				US Patent US10206907 (2019) BindingDB Entry DOI: 10.7270/Q23J3G3B
					More data for this Ligand-Target Pair
JAK3 (aa 781-1124) (Homo sapiens (Human))	BDBM128101 (US10206907, Compound 330 | US8796457, 1 | US950575...) Show SMILES CC1(C)CN(C1)C(=O)c1ccc(cc1)-c1cccc2nc(NC(=O)C3CC3)nn12 Show InChI InChI=1S/C22H23N5O2/c1-22(2)12-26(13-22)20(29)16-10-6-14(7-11-16)17-4-3-5-18-23-21(25-27(17)18)24-19(28)15-8-9-15/h3-7,10-11,15H,8-9,12-13H2,1-2H3,(H,24,25,28)	PDB GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Similars	US Patent	n/a	n/a	408	n/a	n/a	n/a	n/a	7.5	30
GALAPAGOS NV US Patent					Assay Description Recombinant human JAK3 catalytic domain (amino acids 781-1124; catalog number PV3855) was purchased from Invitrogen. 0.025 mU of JAK3 was incubated w...				US Patent US9505754 (2016) BindingDB Entry DOI: 10.7270/Q2ZS2VDQ
					More data for this Ligand-Target Pair