BDBM185676 DAS-DFGO-II-BODIPY

SMILES: Cc1cc(C)n2c1C=C1C=CC(CCC(=O)N3CCN(CC3)c3cc(Nc4ncc(s4)C(=O)Nc4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C)nc(C)n3)=[N+]1[B-]2(F)F

InChI Key: InChIKey=HRMLHFUVAWDKQP-UHFFFAOYSA-N

Data: 2 Kd

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 = 185676   

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 ABL1 (c-Abl) (Homo sapiens (Human))	BDBM185676 (DAS-DFGO-II-BODIPY) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)N3CCN(CC3)c3cc(Nc4ncc(s4)C(=O)Nc4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C)nc(C)n3)=[N+]1[B-]2(F)F |c:10,63,t:8| Show InChI InChI=1S/C42H40BF5N10O3S/c1-24-8-9-30(52-39(60)28-6-5-7-29(19-28)42(44,45)46)20-33(24)53-40(61)35-23-49-41(62-35)54-36-22-37(51-27(4)50-36)55-14-16-56(17-15-55)38(59)13-12-31-10-11-32-21-34-25(2)18-26(3)57(34)43(47,48)58(31)32/h5-11,18-23H,12-17H2,1-4H3,(H,52,60)(H,53,61)(H,49,50,51,54)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.75	n/a	n/a	n/a	8.0	n/a
Stony Brook University					Assay Description Reaction volumes of 50 μL were used in 96-well plates. Buffer A (1×, 34 μL; 100 mM Tris, pH 8, 10 mM MgCl2) was added to a single row, foll...				ACS Chem Biol 11: 1296-304 (2016) Article DOI: 10.1021/acschembio.5b01018 BindingDB Entry DOI: 10.7270/Q2MW2FXD
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (c-Src) (Gallus gallus (Chicken))	BDBM185676 (DAS-DFGO-II-BODIPY) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)N3CCN(CC3)c3cc(Nc4ncc(s4)C(=O)Nc4cc(NC(=O)c5cccc(c5)C(F)(F)F)ccc4C)nc(C)n3)=[N+]1[B-]2(F)F |c:10,63,t:8| Show InChI InChI=1S/C42H40BF5N10O3S/c1-24-8-9-30(52-39(60)28-6-5-7-29(19-28)42(44,45)46)20-33(24)53-40(61)35-23-49-41(62-35)54-36-22-37(51-27(4)50-36)55-14-16-56(17-15-55)38(59)13-12-31-10-11-32-21-34-25(2)18-26(3)57(34)43(47,48)58(31)32/h5-11,18-23H,12-17H2,1-4H3,(H,52,60)(H,53,61)(H,49,50,51,54)	PDB GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	2.80	n/a	n/a	n/a	8.0	n/a
Stony Brook University					Assay Description Reaction volumes of 50 μL were used in 96-well plates. Buffer A (1×, 34 μL; 100 mM Tris, pH 8, 10 mM MgCl2) was added to a single row, foll...				ACS Chem Biol 11: 1296-304 (2016) Article DOI: 10.1021/acschembio.5b01018 BindingDB Entry DOI: 10.7270/Q2MW2FXD
					More data for this Ligand-Target Pair