BDBM275051 US9878996, Compound 7

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

InChI Key: InChIKey=GTABKUMYLUXCIH-UHFFFAOYSA-N

Data: 4 KI

PDB links: 2 PDB IDs match this monomer.

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 4 hits for monomerid = 275051   

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 (nNOS) (Rattus norvegicus (rat))	BDBM275051 (US9878996, Compound 7) Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5/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	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	19	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM275051 (US9878996, Compound 7) Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5/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	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	193	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM275051 (US9878996, Compound 7) Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5/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	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	770	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM275051 (US9878996, Compound 7) Show SMILES Fc1cccc(CCCNCCc2ccnc(n2)-n2ccnc2)c1 Show InChI InChI=1S/C18H20FN5/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	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	4.95E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Assays were performed at the NIMH Psychoactive Drug Screening Program (PDSP) at UNC-Chapel Hill.				US Patent US9878996 (2018) BindingDB Entry DOI: 10.7270/Q2PN97PN
					More data for this Ligand-Target Pair				3D Structure (crystal)