BDBM106696 US8586620, 56

SMILES: CN(C)CCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1

InChI Key: InChIKey=TZUMRJWGGAAQFU-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 106696   

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 (Homo sapiens (Human))	BDBM106696 (US8586620, 56) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:14.15| Show InChI InChI=1S/C17H20N4S/c1-21(2)8-7-12-11-19-15-6-5-13(10-14(12)15)20-17(18)16-4-3-9-22-16/h3-6,9-11,19H,7-8H2,1-2H3,(H2,18,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
5-hydroxytryptamine 1D receptor (5HT1D) (Bos taurus (Bovine))	BDBM106696 (US8586620, 56) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:14.15| Show InChI InChI=1S/C17H20N4S/c1-21(2)8-7-12-11-19-15-6-5-13(10-14(12)15)20-17(18)16-4-3-9-22-16/h3-6,9-11,19H,7-8H2,1-2H3,(H2,18,20)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	360	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description 5-HT1D binding assays (agonist radioligand)were performed using bovine caudate membranes according to the methods of Heuring and Peroutka (J. Neurosc...				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM106696 (US8586620, 56) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:14.15| Show InChI InChI=1S/C17H20N4S/c1-21(2)8-7-12-11-19-15-6-5-13(10-14(12)15)20-17(18)16-4-3-9-22-16/h3-6,9-11,19H,7-8H2,1-2H3,(H2,18,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	1.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM106696 (US8586620, 56) Show SMILES CN(C)CCc1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:14.15| Show InChI InChI=1S/C17H20N4S/c1-21(2)8-7-12-11-19-15-6-5-13(10-14(12)15)20-17(18)16-4-3-9-22-16/h3-6,9-11,19H,7-8H2,1-2H3,(H2,18,20)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon, Inc. US Patent					Assay Description Enzyme assay using recombinant human inducible NOS (iNOS), human endothelial constitutive NOS (eNOS) or human neuronal constitutive NOS (nNOS).				US Patent US8586620 (2013) BindingDB Entry DOI: 10.7270/Q2348J0K
					More data for this Ligand-Target Pair