BDBM50070042 CHEMBL3407810

SMILES: Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1

InChI Key: InChIKey=ZFCKGWSPRRORFE-UHFFFAOYSA-N

Data: 9 KI  1 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 10 hits for monomerid = 50070042   

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
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant rat neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured fo...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant human neuronal NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measured ...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Alpha-2C adrenergic receptor (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to human adrenergic alpha-2C receptor after 90 mins by radioligand displacement assay				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Sigma non-opioid intracellular receptor 1 (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	200	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to human sigma-1 receptor after 90 mins by radioligand displacement assay				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 1A (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to human 5-HT1A receptor after 90 mins by radioligand displacement assay				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
5-hydroxytryptamine receptor 2A (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to human 5-HT2A receptor after 90 mins by radioligand displacement assay				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
D(3) dopamine receptor (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	500	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to human dopamine D3 receptor after 90 mins by radioligand displacement assay				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant mouse macrophage inducible NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-argini...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Binding affinity to recombinant bovine endothelial NOS overexpressed in Escherichia coli assessed as production of nitric oxide from L-arginine measu...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair
Cytochrome P450 3A4 (Homo sapiens (Human))	BDBM50070042 (CHEMBL3407810) Show SMILES Cl.Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5.ClH/c19-16-5-1-3-15(13-16)4-2-8-20-9-6-17-7-10-22-18(23-17)24-12-11-21-14-24;/h1,3,5,7,10-14,20H,2,4,6,8-9H2;1H	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of human CYP3A4 using 7-benzyloxy-4-(trifluoromethyl)coumarin as substrate assessed as formation of 7-hydroxy-4-trifluoromethylcoumarin in...				J Med Chem 58: 1067-88 (2015) Article DOI: 10.1021/jm501719e BindingDB Entry DOI: 10.7270/Q2CR5W25
					More data for this Ligand-Target Pair