BDBM50005016 CHEMBL2408782

SMILES: Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1Cc1cccc(\C=C\C(=O)NO)c1

InChI Key: InChIKey=LZMIRSDLYCEMKZ-KPKJPENVSA-N

Data: 2 KI

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 = 50005016   

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
Histone deacetylase 1 (Homo sapiens (Human))	BDBM50005016 (CHEMBL2408782) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1Cc1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C29H22ClN9O2/c30-22-10-8-20(9-11-22)27-26-28(31)32-17-33-29(26)39(35-27)23-6-2-5-21(14-23)24-15-34-37-38(24)16-19-4-1-3-18(13-19)7-12-25(40)36-41/h1-15,17,41H,16H2,(H,36,40)(H2,31,32,33)/b12-7+	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	23	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of human recombinant HDAC1 using Ac-Leu-Gly-Lys(Ac)AMCA as substrate after 30 mins by fluorescence assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair
Proto-oncogene tyrosine-protein kinase Src (Homo sapiens (Human))	BDBM50005016 (CHEMBL2408782) Show SMILES Nc1ncnc2n(nc(-c3ccc(Cl)cc3)c12)-c1cccc(c1)-c1cnnn1Cc1cccc(\C=C\C(=O)NO)c1 Show InChI InChI=1S/C29H22ClN9O2/c30-22-10-8-20(9-11-22)27-26-28(31)32-17-33-29(26)39(35-27)23-6-2-5-21(14-23)24-15-34-37-38(24)16-19-4-1-3-18(13-19)7-12-25(40)36-41/h1-15,17,41H,16H2,(H,36,40)(H2,31,32,33)/b12-7+	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.14E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Michigan Curated by ChEMBL					Assay Description Inhibition of c-Src (unknown origin) after 10 mins by fluorimetric assay				ACS Med Chem Lett 4: 779-783 (2013) Article DOI: 10.1021/ml400175d BindingDB Entry DOI: 10.7270/Q2CZ38KR
					More data for this Ligand-Target Pair