null

SMILES: COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1

InChI Key: InChIKey=CNZPKQOAIMARQF-FXAWDEMLSA-N

PDB links: 1 PDB ID matches this monomer.

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 8 hits for monomerid = 50366042   

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))	BDBM50366042 (CHEMBL1956739 | US8927730, 3b) Show SMILES COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB US Patent	820	-8.63	7.10E+3	n/a	n/a	n/a	n/a	7.4	37
Northwestern University US Patent					Assay Description The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...				US Patent US8927730 (2015) BindingDB Entry DOI: 10.7270/Q2610Z1V
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50366042 (CHEMBL1956739 | US8927730, 3b) Show SMILES COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	820	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 by hemoglobin capture assay				Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50366042 (CHEMBL1956739 | US8927730, 3b) Show SMILES COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	7.70E+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 bovine eNOS expressed in Escherichia coli by hemoglobin capture assay				Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Bos taurus (bovine))	BDBM50366042 (CHEMBL1956739 | US8927730, 3b) Show SMILES COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	7.70E+4	-5.83	n/a	n/a	n/a	n/a	n/a	7.4	37
Northwestern University US Patent					Assay Description The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...				US Patent US8927730 (2015) BindingDB Entry DOI: 10.7270/Q2610Z1V
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50366042 (CHEMBL1956739 | US8927730, 3b) Show SMILES COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	US Patent	1.14E+5	-5.59	n/a	n/a	n/a	n/a	n/a	7.4	37
Northwestern University US Patent					Assay Description The three NOS isoforms, rat nNOS, murine iNOS and bovine eNOS were recombinant enzymes overexpressed in E. coli and purified as reported in the liter...				US Patent US8927730 (2015) BindingDB Entry DOI: 10.7270/Q2610Z1V
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50366042 (CHEMBL1956739 | US8927730, 3b) Show SMILES COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	Article PubMed	1.14E+5	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 iNOS expressed in Escherichia coli by hemoglobin capture assay				Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50366042 (CHEMBL1956739 | US8927730, 3b) Show SMILES COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat nNOS expressed in HEK293T cells preincubated for 30 mins prior A23187-induced activation measured after 6 hrs by Griess assay				Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50366042 (CHEMBL1956739 | US8927730, 3b) Show SMILES COc1ccccc1CNCCO[C@@H]1CNC[C@@H]1Cc1cc(C)cc(N)n1 |r| Show InChI InChI=1S/C21H30N4O2/c1-15-9-18(25-21(22)10-15)11-17-13-24-14-20(17)27-8-7-23-12-16-5-3-4-6-19(16)26-2/h3-6,9-10,17,20,23-24H,7-8,11-14H2,1-2H3,(H2,22,25)/t17-,20+/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL MMDB PC cid PC sid PDB UniChem Similars	PDB Article PubMed	n/a	n/a	7.10E+3	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 by hemoglobin capture assay				Bioorg Med Chem 20: 2435-43 (2012) Article DOI: 10.1016/j.bmc.2012.01.037 BindingDB Entry DOI: 10.7270/Q26110TZ
					More data for this Ligand-Target Pair				3D Structure (crystal)