BDBM50355311 CHEMBL1835114

SMILES: CN1CCC(CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1

InChI Key: InChIKey=SJQKGYZEJFPXQY-UHFFFAOYSA-N

Data: 3 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 3 hits for monomerid = 50355311   

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))	BDBM50355311 (CHEMBL1835114) Show SMILES CN1CCC(CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18| Show InChI InChI=1S/C19H22N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(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	120	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant nNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...				J Med Chem 54: 7408-16 (2011) Article DOI: 10.1021/jm201063u BindingDB Entry DOI: 10.7270/Q2JQ1201
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50355311 (CHEMBL1835114) Show SMILES CN1CCC(CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18| Show InChI InChI=1S/C19H22N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(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	9.30E+3	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant iNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...				J Med Chem 54: 7408-16 (2011) Article DOI: 10.1021/jm201063u BindingDB Entry DOI: 10.7270/Q2JQ1201
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50355311 (CHEMBL1835114) Show SMILES CN1CCC(CC1)c1c[nH]c2cc(ccc12)N=C(N)c1cccs1 |w:16.18| Show InChI InChI=1S/C19H22N4S/c1-23-8-6-13(7-9-23)16-12-21-17-11-14(4-5-15(16)17)22-19(20)18-3-2-10-24-18/h2-5,10-13,21H,6-9H2,1H3,(H2,20,22)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.07E+4	n/a	n/a	n/a	n/a	n/a	n/a
NeurAxon Inc. Curated by ChEMBL					Assay Description Inhibition of human recombinant eNOS expressed in Sf9 cells assessed as inhibition of conversion of [3H]-L-arginine to [3H]-L-citrulline after 45 min...				J Med Chem 54: 7408-16 (2011) Article DOI: 10.1021/jm201063u BindingDB Entry DOI: 10.7270/Q2JQ1201
					More data for this Ligand-Target Pair