BDBM50365340 CHEMBL1956109

SMILES: CN[C@H]1CC[C@H](CC1)N1CCc2cc(F)c(cc12)N=C(N)c1cccs1

InChI Key: InChIKey=ZVTIPOSGDMUXPC-GASCZTMLSA-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 = 50365340   

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))	BDBM50365340 (CHEMBL1956109) Show SMILES CN[C@H]1CC[C@H](CC1)N1CCc2cc(F)c(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:5.8,2.1,(7.37,-3.67,;8.7,-2.9,;8.7,-1.36,;10.04,-.59,;10.04,.95,;8.7,1.71,;7.37,.94,;7.37,-.59,;8.71,3.26,;9.62,4.51,;8.71,5.77,;7.23,5.29,;5.9,6.05,;4.57,5.28,;3.23,6.05,;4.57,3.74,;5.9,2.97,;7.23,3.74,;3.23,2.97,;1.9,3.74,;1.9,5.28,;.57,2.97,;-.84,3.6,;-1.87,2.46,;-1.1,1.13,;.41,1.45,)| Show InChI InChI=1S/C20H25FN4S/c1-23-14-4-6-15(7-5-14)25-9-8-13-11-16(21)17(12-18(13)25)24-20(22)19-3-2-10-26-19/h2-3,10-12,14-15,23H,4-9H2,1H3,(H2,22,24)/t14-,15+	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	5.82E+3	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 baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline ...				J Med Chem 55: 943-55 (2012) Article DOI: 10.1021/jm201564u BindingDB Entry DOI: 10.7270/Q20P10HM
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50365340 (CHEMBL1956109) Show SMILES CN[C@H]1CC[C@H](CC1)N1CCc2cc(F)c(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:5.8,2.1,(7.37,-3.67,;8.7,-2.9,;8.7,-1.36,;10.04,-.59,;10.04,.95,;8.7,1.71,;7.37,.94,;7.37,-.59,;8.71,3.26,;9.62,4.51,;8.71,5.77,;7.23,5.29,;5.9,6.05,;4.57,5.28,;3.23,6.05,;4.57,3.74,;5.9,2.97,;7.23,3.74,;3.23,2.97,;1.9,3.74,;1.9,5.28,;.57,2.97,;-.84,3.6,;-1.87,2.46,;-1.1,1.13,;.41,1.45,)| Show InChI InChI=1S/C20H25FN4S/c1-23-14-4-6-15(7-5-14)25-9-8-13-11-16(21)17(12-18(13)25)24-20(22)19-3-2-10-26-19/h2-3,10-12,14-15,23H,4-9H2,1H3,(H2,22,24)/t14-,15+	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	8.97E+5	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 baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline ...				J Med Chem 55: 943-55 (2012) Article DOI: 10.1021/jm201564u BindingDB Entry DOI: 10.7270/Q20P10HM
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50365340 (CHEMBL1956109) Show SMILES CN[C@H]1CC[C@H](CC1)N1CCc2cc(F)c(cc12)N=C(N)c1cccs1 |r,w:18.20,wD:5.8,2.1,(7.37,-3.67,;8.7,-2.9,;8.7,-1.36,;10.04,-.59,;10.04,.95,;8.7,1.71,;7.37,.94,;7.37,-.59,;8.71,3.26,;9.62,4.51,;8.71,5.77,;7.23,5.29,;5.9,6.05,;4.57,5.28,;3.23,6.05,;4.57,3.74,;5.9,2.97,;7.23,3.74,;3.23,2.97,;1.9,3.74,;1.9,5.28,;.57,2.97,;-.84,3.6,;-1.87,2.46,;-1.1,1.13,;.41,1.45,)| Show InChI InChI=1S/C20H25FN4S/c1-23-14-4-6-15(7-5-14)25-9-8-13-11-16(21)17(12-18(13)25)24-20(22)19-3-2-10-26-19/h2-3,10-12,14-15,23H,4-9H2,1H3,(H2,22,24)/t14-,15+	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.20E+5	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 baculovirus infected insect Sf9 cells assessed as conversion of [3H]L-arginine to [3H]L-citrulline ...				J Med Chem 55: 943-55 (2012) Article DOI: 10.1021/jm201564u BindingDB Entry DOI: 10.7270/Q20P10HM
					More data for this Ligand-Target Pair