null

SMILES: Cc1cc(C)n2c1C=C1C=CC(CCC(=O)N3CCN(CC3)c3cc(Nc4ncc(s4)C(=O)Nc4c(C)cccc4Cl)nc(C)n3)=[N+]1[B-]2(F)F

InChI Key: InChIKey=CLZXHZGRQVXWTJ-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 2 hits for monomerid = 185675   

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 [229-512] (Homo sapiens (Human))	BDBM185675 (DAS-BODIPY) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)N3CCN(CC3)c3cc(Nc4ncc(s4)C(=O)Nc4c(C)cccc4Cl)nc(C)n3)=[N+]1[B-]2(F)F |c:10,50,t:8| Show InChI InChI=1S/C34H35BClF2N9O2S/c1-20-6-5-7-26(36)32(20)43-33(49)28-19-39-34(50-28)42-29-18-30(41-23(4)40-29)44-12-14-45(15-13-44)31(48)11-10-24-8-9-25-17-27-21(2)16-22(3)46(27)35(37,38)47(24)25/h5-9,16-19H,10-15H2,1-4H3,(H,43,49)(H,39,40,41,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.150	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 [251-533] (Gallus gallus (Chicken))	BDBM185675 (DAS-BODIPY) Show SMILES Cc1cc(C)n2c1C=C1C=CC(CCC(=O)N3CCN(CC3)c3cc(Nc4ncc(s4)C(=O)Nc4c(C)cccc4Cl)nc(C)n3)=[N+]1[B-]2(F)F |c:10,50,t:8| Show InChI InChI=1S/C34H35BClF2N9O2S/c1-20-6-5-7-26(36)32(20)43-33(49)28-19-39-34(50-28)42-29-18-30(41-23(4)40-29)44-12-14-45(15-13-44)31(48)11-10-24-8-9-25-17-27-21(2)16-22(3)46(27)35(37,38)47(24)25/h5-9,16-19H,10-15H2,1-4H3,(H,43,49)(H,39,40,41,42)	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	0.5	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