BDBM316840 US9617258, Example 343

SMILES: C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC#C)c2n1

InChI Key: InChIKey=KOHNKMWASVPXCK-UHFFFAOYSA-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 4 hits for monomerid = 316840   

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 JAK3 (Homo sapiens (Human))	BDBM316840 (US11111242, Example 343 | US9617258, Example 343) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC#C)c2n1 Show InChI InChI=1S/C18H20N6O2/c1-3-7-19-18(26)13-10-20-17-16(13)23-14(11-21-17)22-12-5-8-24(9-6-12)15(25)4-2/h1,4,10-12H,2,5-9H2,(H,19,26)(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316840 (US11111242, Example 343 | US9617258, Example 343) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC#C)c2n1 Show InChI InChI=1S/C18H20N6O2/c1-3-7-19-18(26)13-10-20-17-16(13)23-14(11-21-17)22-12-5-8-24(9-6-12)15(25)4-2/h1,4,10-12H,2,5-9H2,(H,19,26)(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316840 (US11111242, Example 343 | US9617258, Example 343) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC#C)c2n1 Show InChI InChI=1S/C18H20N6O2/c1-3-7-19-18(26)13-10-20-17-16(13)23-14(11-21-17)22-12-5-8-24(9-6-12)15(25)4-2/h1,4,10-12H,2,5-9H2,(H,19,26)(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem		n/a	n/a	0.100	n/a	n/a	n/a	n/a	n/a	n/a
TBA									Citation and Details
					More data for this Ligand-Target Pair
Tyrosine-protein kinase JAK3 (Homo sapiens (Human))	BDBM316840 (US11111242, Example 343 | US9617258, Example 343) Show SMILES C=CC(=O)N1CCC(CC1)Nc1cnc2[nH]cc(C(=O)NCC#C)c2n1 Show InChI InChI=1S/C18H20N6O2/c1-3-7-19-18(26)13-10-20-17-16(13)23-14(11-21-17)22-12-5-8-24(9-6-12)15(25)4-2/h1,4,10-12H,2,5-9H2,(H,19,26)(H,20,21)(H,22,23)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	3.40	n/a	n/a	n/a	n/a	n/a	n/a
Pfizer Inc. US Patent					Assay Description Test article was solubilized in dimethyl sulfoxide (DMSO) to a stock concentration of 30 mM. An 11-point half log dilution series was created in DMSO...				US Patent US9617258 (2017) BindingDB Entry DOI: 10.7270/Q2JD4ZWG
					More data for this Ligand-Target Pair