BDBM106698 CHEMBL1957349::US8586620, 42

SMILES: CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1

InChI Key: InChIKey=LHMBGXCQBZFVCE-UHFFFAOYSA-N

Data: 9 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 9 hits for monomerid = 106698   

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))	BDBM106698 (CHEMBL1957349 | US8586620, 42) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	920	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))	BDBM106698 (CHEMBL1957349 | US8586620, 42) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	5.11E+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, inducible (Homo sapiens (Human))	BDBM106698 (CHEMBL1957349 | US8586620, 42) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	2.00E+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
5-hydroxytryptamine 1D receptor (5HT1D) (Bos taurus (Bovine))	BDBM106698 (CHEMBL1957349 | US8586620, 42) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)	Reactome pathway UniProtKB/TrEMBL GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	51	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, brain (Rattus norvegicus (rat))	BDBM106698 (CHEMBL1957349 | US8586620, 42) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of rat nNOS				Bioorg Med Chem Lett 22: 1980-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.031 BindingDB Entry DOI: 10.7270/Q2Q52Q3N
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM106698 (CHEMBL1957349 | US8586620, 42) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)	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	190	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human nNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline				Bioorg Med Chem Lett 22: 1980-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.031 BindingDB Entry DOI: 10.7270/Q2Q52Q3N
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM106698 (CHEMBL1957349 | US8586620, 42) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.24E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human eNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline				Bioorg Med Chem Lett 22: 1980-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.031 BindingDB Entry DOI: 10.7270/Q2Q52Q3N
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM106698 (CHEMBL1957349 | US8586620, 42) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human iNOS expressed in baculovirus infected insect Sf9 cells assessed as conversion of [3H]-L-arginine to [3H]-L-citrulline				Bioorg Med Chem Lett 22: 1980-4 (2012) Article DOI: 10.1016/j.bmcl.2012.01.031 BindingDB Entry DOI: 10.7270/Q2Q52Q3N
					More data for this Ligand-Target Pair
Serotonin 1B/1D receptor (Rattus norvegicus (Rat))	BDBM106698 (CHEMBL1957349 | US8586620, 42) Show SMILES CN1CCC(=CC1)c1c[nH]c2ccc(cc12)N=C(N)c1cccs1 |w:16.18,c:4| Show InChI InChI=1S/C19H20N4S/c1-23-8-6-13(7-9-23)16-12-21-17-5-4-14(11-15(16)17)22-19(20)18-3-2-10-24-18/h2-6,10-12,21H,7-9H2,1H3,(H2,20,22)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	US Patent	n/a	n/a	160	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