BDBM481109 US10906896, Cpd 113

SMILES: CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(C)n[nH]3)c2)CC1

InChI Key: InChIKey=FYTNSFVHUFSPDY-UHFFFAOYSA-N

Data: 1 KI  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 3 hits for monomerid = 481109   

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
Mast/stem cell growth factor receptor Kit (Homo sapiens (Human))	BDBM481109 (US10906896, Cpd 113) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(C)n[nH]3)c2)CC1 |c:39,t:37| Show InChI InChI=1S/C37H38N12O2/c1-23-4-9-29(40-35(50)26-7-5-25(6-8-26)22-49-14-12-48(3)13-15-49)18-31(23)42-37-39-11-10-30(41-37)27-17-28(21-38-20-27)32-19-33(46-45-32)36(51)43-34-16-24(2)44-47-34/h4-11,16-18,20-21H,12-15,19,22H2,1-3H3,(H,40,50)(H,39,41,42)(H2,43,44,47,51)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	7.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Inhibikase Therapeutics, Inc. US Patent					Assay Description Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...				US Patent US10906896 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL1 (Homo sapiens (Human))	BDBM481109 (US10906896, Cpd 113) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(C)n[nH]3)c2)CC1 |c:39,t:37| Show InChI InChI=1S/C37H38N12O2/c1-23-4-9-29(40-35(50)26-7-5-25(6-8-26)22-49-14-12-48(3)13-15-49)18-31(23)42-37-39-11-10-30(41-37)27-17-28(21-38-20-27)32-19-33(46-45-32)36(51)43-34-16-24(2)44-47-34/h4-11,16-18,20-21H,12-15,19,22H2,1-3H3,(H,40,50)(H,39,41,42)(H2,43,44,47,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Inhibikase Therapeutics, Inc. US Patent					Assay Description Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...				US Patent US10906896 (2021)
					More data for this Ligand-Target Pair
Tyrosine-protein kinase ABL2 (Homo sapiens (Human))	BDBM481109 (US10906896, Cpd 113) Show SMILES CN1CCN(Cc2ccc(cc2)C(=O)Nc2ccc(C)c(Nc3nccc(n3)-c3cncc(c3)C3=NN=C(C3)C(=O)Nc3cc(C)n[nH]3)c2)CC1 |c:39,t:37| Show InChI InChI=1S/C37H38N12O2/c1-23-4-9-29(40-35(50)26-7-5-25(6-8-26)22-49-14-12-48(3)13-15-49)18-31(23)42-37-39-11-10-30(41-37)27-17-28(21-38-20-27)32-19-33(46-45-32)36(51)43-34-16-24(2)44-47-34/h4-11,16-18,20-21H,12-15,19,22H2,1-3H3,(H,40,50)(H,39,41,42)(H2,43,44,47,51)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	50.1	n/a	n/a	n/a	n/a	n/a	n/a
Inhibikase Therapeutics, Inc. US Patent					Assay Description Kinase base buffer (50 mM HEPES, pH 7.5 0.0015% Brij-35; 10 mM MgCl2 2 mM DTT) and Stop buffer, (100 mM HEPES, pH 7.5 0.015% Brij-35; 0.2% Coating Re...				US Patent US10906896 (2021)
					More data for this Ligand-Target Pair