BDBM50035009 (4-{[(2-Amino-benzo[cd]indol-6-yl)-methyl-amino]-methyl}-pyridin-2-yl)-methanol::CHEMBL294871

SMILES: CN(Cc1ccnc(CO)c1)c1ccc2N=C(N)c3cccc1c23

InChI Key: InChIKey=SFUFTYNMNIMJBH-UHFFFAOYSA-N

Data: 1 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 1 hit for monomerid = 50035009   

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
Thymidylate synthase (Homo sapiens (Human))	BDBM50035009 ((4-{[(2-Amino-benzo[cd]indol-6-yl)-methyl-amino]-m...) Show SMILES CN(Cc1ccnc(CO)c1)c1ccc2N=C(N)c3cccc1c23 |t:16| Show InChI InChI=1S/C19H18N4O/c1-23(10-12-7-8-21-13(9-12)11-24)17-6-5-16-18-14(17)3-2-4-15(18)19(20)22-16/h2-9,24H,10-11H2,1H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	18	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Agouron Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Inhibitory effect against recombinant human thymidylate synthase				J Med Chem 38: 1892-903 (1995) BindingDB Entry DOI: 10.7270/Q2X929B2
					More data for this Ligand-Target Pair