BDBM50035015 CHEMBL55884::N*6*-Methyl-N*6*-pyridin-4-ylmethyl-benzo[cd]indole-2,6-diamine

SMILES: CN(Cc1ccncc1)c1ccc2N=C(N)c3cccc1c23

InChI Key: InChIKey=HYJQLWHIPFIAEG-UHFFFAOYSA-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 = 50035015   

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))	BDBM50035015 (CHEMBL55884 | N*6*-Methyl-N*6*-pyridin-4-ylmethyl-...) Show SMILES CN(Cc1ccncc1)c1ccc2N=C(N)c3cccc1c23 |t:14| Show InChI InChI=1S/C18H16N4/c1-22(11-12-7-9-20-10-8-12)16-6-5-15-17-13(16)3-2-4-14(17)18(19)21-15/h2-10H,11H2,1H3,(H2,19,21)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.00E+3	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 of the compound against E. coli thymidylate synthase				J Med Chem 38: 1892-903 (1995) BindingDB Entry DOI: 10.7270/Q2X929B2
					More data for this Ligand-Target Pair
Thymidylate synthase (Escherichia coli)	BDBM50035015 (CHEMBL55884 | N*6*-Methyl-N*6*-pyridin-4-ylmethyl-...) Show SMILES CN(Cc1ccncc1)c1ccc2N=C(N)c3cccc1c23 |t:14| Show InChI InChI=1S/C18H16N4/c1-22(11-12-7-9-20-10-8-12)16-6-5-15-17-13(16)3-2-4-14(17)18(19)21-15/h2-10H,11H2,1H3,(H2,19,21)	PDB Reactome pathway KEGG UniProtKB/TrEMBL DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	6.00E+3	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 of the compound against E. coli thymidylate synthase				J Med Chem 38: 1892-903 (1995) BindingDB Entry DOI: 10.7270/Q2X929B2
					More data for this Ligand-Target Pair