BDBM481113 US10906896, Cpd 117

SMILES: CN(C)C(=O)c1cc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)[nH]n1

InChI Key: InChIKey=BVQJGEBCGLWTNC-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 = 481113   

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))	BDBM481113 (US10906896, Cpd 117) Show SMILES CN(C)C(=O)c1cc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)[nH]n1 |c:13,t:11| Show InChI InChI=1S/C39H41N13O3/c1-24-5-10-29(42-36(53)26-8-6-25(7-9-26)23-52-15-13-51(4)14-16-52)18-31(24)44-39-41-12-11-30(43-39)27-17-28(22-40-21-27)32-19-33(47-46-32)37(54)45-35-20-34(48-49-35)38(55)50(2)3/h5-12,17-18,20-22H,13-16,19,23H2,1-4H3,(H,42,53)(H,41,43,44)(H2,45,48,49,54)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	5.70	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))	BDBM481113 (US10906896, Cpd 117) Show SMILES CN(C)C(=O)c1cc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)[nH]n1 |c:13,t:11| Show InChI InChI=1S/C39H41N13O3/c1-24-5-10-29(42-36(53)26-8-6-25(7-9-26)23-52-15-13-51(4)14-16-52)18-31(24)44-39-41-12-11-30(43-39)27-17-28(22-40-21-27)32-19-33(47-46-32)37(54)45-35-20-34(48-49-35)38(55)50(2)3/h5-12,17-18,20-22H,13-16,19,23H2,1-4H3,(H,42,53)(H,41,43,44)(H2,45,48,49,54)	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	29.1	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
Tyrosine-protein kinase ABL2 (Homo sapiens (Human))	BDBM481113 (US10906896, Cpd 117) Show SMILES CN(C)C(=O)c1cc(NC(=O)C2=NN=C(C2)c2cncc(c2)-c2ccnc(Nc3cc(NC(=O)c4ccc(CN5CCN(C)CC5)cc4)ccc3C)n2)[nH]n1 |c:13,t:11| Show InChI InChI=1S/C39H41N13O3/c1-24-5-10-29(42-36(53)26-8-6-25(7-9-26)23-52-15-13-51(4)14-16-52)18-31(24)44-39-41-12-11-30(43-39)27-17-28(22-40-21-27)32-19-33(47-46-32)37(54)45-35-20-34(48-49-35)38(55)50(2)3/h5-12,17-18,20-22H,13-16,19,23H2,1-4H3,(H,42,53)(H,41,43,44)(H2,45,48,49,54)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt 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