BDBM350350 (S)-5-(1-((1-(2-chloroacetyl)pyrrolidin-3-yl)amino)isoquinolin-3-yl)-2,4-dihydro-3H-1,2,4-triazol-3-one::US10307414, Example 34::US9801872, Example 34

SMILES: ClCC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1

InChI Key: InChIKey=RMXFYGPGAYJKLS-NSHDSACASA-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 = 350350   

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 BTK (Homo sapiens (Human))	BDBM350350 ((S)-5-(1-((1-(2-chloroacetyl)pyrrolidin-3-yl)amino...) Show SMILES ClCC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r| Show InChI InChI=1S/C17H15ClN6O2/c18-8-14(25)24-6-5-11(9-24)19-15-12-4-2-1-3-10(12)7-13(20-15)16-21-17(26)23-22-16/h1-4,7,11H,5-6,8-9H2,(H,19,20)/t11-/m0/s1	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	<2.51	n/a	n/a	n/a	n/a	n/a	n/a
CNRS					Assay Description The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...				Bioorg Med Chem Lett 19: 1600-3 (2009) BindingDB Entry DOI: 10.7270/Q2TQ63WG
					More data for this Ligand-Target Pair
Tyrosine-protein kinase BTK (Homo sapiens (Human))	BDBM350350 ((S)-5-(1-((1-(2-chloroacetyl)pyrrolidin-3-yl)amino...) Show SMILES ClCC(=O)N1CC[C@@H](C1)Nc1nc(cc2ccccc12)-c1n[nH]c(=O)[nH]1 |r| Show InChI InChI=1S/C17H15ClN6O2/c18-8-14(25)24-6-5-11(9-24)19-15-12-4-2-1-3-10(12)7-13(20-15)16-21-17(26)23-22-16/h1-4,7,11H,5-6,8-9H2,(H,19,20)/t11-/m0/s1	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	<2.51	n/a	n/a	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company Limited US Patent					Assay Description The inhibitory properties of compounds relative to BTK is determined using a black 384-well-plate format in a buffer which contains 50 mM Hepes, 10 m...				US Patent US9801872 (2017) BindingDB Entry DOI: 10.7270/Q2BC41PD
					More data for this Ligand-Target Pair