BDBM185670 DAS-DFGO-I::N-(2-chloro-6-methylphenyl)-2-[[6-[4-(2-hydroxyethyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]amino]-1,3-thiazole-5-carboxamide

SMILES: Cc1nc(Nc2ncc(s2)C(=O)Nc2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)cc(n1)N1CCN(CCO)CC1

InChI Key: InChIKey=GWJVXYZDNRXACJ-UHFFFAOYSA-N

Data: 3 Kd

PDB links: 1 PDB ID matches this monomer.

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 = 185670   

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
Proto-oncogene tyrosine-protein kinase Src (c-Src) (Gallus gallus (Chicken))	BDBM185670 (DAS-DFGO-I | N-(2-chloro-6-methylphenyl)-2-[[6-[4-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H29F3N8O3S/c1-18-34-24(16-25(35-18)40-10-8-39(9-11-40)12-13-41)38-28-33-17-23(44-28)27(43)37-22-7-3-6-21(15-22)36-26(42)19-4-2-5-20(14-19)29(30,31)32/h2-7,14-17,41H,8-13H2,1H3,(H,36,42)(H,37,43)(H,33,34,35,38)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	n/a	0.530	n/a	n/a	n/a	n/a	n/a
Stony Brook University					Assay Description Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...				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				3D Structure (crystal)
Tyrosine-protein kinase ABL1 (c-Abl) (Homo sapiens (Human))	BDBM185670 (DAS-DFGO-I | N-(2-chloro-6-methylphenyl)-2-[[6-[4-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H29F3N8O3S/c1-18-34-24(16-25(35-18)40-10-8-39(9-11-40)12-13-41)38-28-33-17-23(44-28)27(43)37-22-7-3-6-21(15-22)36-26(42)19-4-2-5-20(14-19)29(30,31)32/h2-7,14-17,41H,8-13H2,1H3,(H,36,42)(H,37,43)(H,33,34,35,38)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	1.80	n/a	n/a	n/a	n/a	n/a
Stony Brook University					Assay Description Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against phospho...				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
Tyrosine-protein kinase ABL1 (c-Abl) (Homo sapiens (Human))	BDBM185670 (DAS-DFGO-I | N-(2-chloro-6-methylphenyl)-2-[[6-[4-...) Show SMILES Cc1nc(Nc2ncc(s2)C(=O)Nc2cccc(NC(=O)c3cccc(c3)C(F)(F)F)c2)cc(n1)N1CCN(CCO)CC1 Show InChI InChI=1S/C29H29F3N8O3S/c1-18-34-24(16-25(35-18)40-10-8-39(9-11-40)12-13-41)38-28-33-17-23(44-28)27(43)37-22-7-3-6-21(15-22)36-26(42)19-4-2-5-20(14-19)29(30,31)32/h2-7,14-17,41H,8-13H2,1H3,(H,36,42)(H,37,43)(H,33,34,35,38)	PDB GoogleScholar AffyNet	PC cid PC sid PDB UniChem Similars	Article PubMed	n/a	n/a	n/a	2.20	n/a	n/a	n/a	n/a	n/a
Stony Brook University					Assay Description Inhibitor selectivity profiles were obtained through Luceome Biotechnologies (Tuscon, AZ). Each inhibitor was screened at 0.5 μM against a panel...				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