BDBM50131178 CHEMBL3634537

SMILES: Cc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12

InChI Key: InChIKey=OBKUJVHSKFHNGQ-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50131178   

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
Bcr-Abl (Homo sapiens (Human))	BDBM50131178 (CHEMBL3634537) Show SMILES Cc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O2/c1-17-5-2-3-6-20(17)26(33)31-15-13-30(14-16-31)25(32)19-11-9-18(10-12-19)21-7-4-8-22-23(21)24(27)29-28-22/h2-12H,13-16H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	8.56E+3	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibition constant against Adenosine A2a receptor				Eur J Med Chem 104: 139-47 (2015) BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair
Bcr-Abl (Homo sapiens (Human))	BDBM50131178 (CHEMBL3634537) Show SMILES Cc1ccccc1C(=O)N1CCN(CC1)C(=O)c1ccc(cc1)-c1cccc2[nH]nc(N)c12 Show InChI InChI=1S/C26H25N5O2/c1-17-5-2-3-6-20(17)26(33)31-15-13-30(14-16-31)25(32)19-11-9-18(10-12-19)21-7-4-8-22-23(21)24(27)29-28-22/h2-12H,13-16H2,1H3,(H3,27,28,29)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
First Affiliated Hospital of Xi'an Jiaotong University Curated by ChEMBL					Assay Description Inhibitory concentration against interleukin-2 binding				Eur J Med Chem 104: 139-47 (2015) BindingDB Entry DOI: 10.7270/Q23B61Z7
					More data for this Ligand-Target Pair