BDBM50266601 CHEMBL4087425

SMILES: CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1

InChI Key: InChIKey=YRXIWPFDEWMIOD-UHFFFAOYSA-N

Data: 4 KI

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 = 50266601   

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 (Rattus norvegicus (rat))	BDBM50266601 (CHEMBL4087425) Show SMILES CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C21H25N3O/c1-4-15-8-17(12-23-3)10-18(9-15)25-13-16-5-6-19-14(2)7-21(22)24-20(19)11-16/h5-11,23H,4,12-13H2,1-3H3,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	37	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant rat nNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as substrate measu...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM50266601 (CHEMBL4087425) Show SMILES CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C21H25N3O/c1-4-15-8-17(12-23-3)10-18(9-15)25-13-16-5-6-19-14(2)7-21(22)24-20(19)11-16/h5-11,23H,4,12-13H2,1-3H3,(H2,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	78	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length nNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50266601 (CHEMBL4087425) Show SMILES CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C21H25N3O/c1-4-15-8-17(12-23-3)10-18(9-15)25-13-16-5-6-19-14(2)7-21(22)24-20(19)11-16/h5-11,23H,4,12-13H2,1-3H3,(H2,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	1.30E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant mouse macrophage iNOS expressed in Escherichia coli assessed as reduction in nitric oxide production using L-arginine as su...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50266601 (CHEMBL4087425) Show SMILES CCc1cc(CNC)cc(OCc2ccc3c(C)cc(N)nc3c2)c1 Show InChI InChI=1S/C21H25N3O/c1-4-15-8-17(12-23-3)10-18(9-15)25-13-16-5-6-19-14(2)7-21(22)24-20(19)11-16/h5-11,23H,4,12-13H2,1-3H3,(H2,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	2.10E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of recombinant human full-length eNOS expressed in Escherichia coli BL21(DE3) assessed as reduction in nitric oxide production using L-arg...				J Med Chem 60: 3958-3978 (2017) Article DOI: 10.1021/acs.jmedchem.7b00259 BindingDB Entry DOI: 10.7270/Q2RV0R5D
					More data for this Ligand-Target Pair