null

SMILES: NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1

InChI Key: InChIKey=ZZVGLDBDDYESAB-UHFFFAOYSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 50122307   

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))	BDBM50122307 (CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...) Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2| Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human (neuronal nitric oxide synthase) n-NOS				Bioorg Med Chem Lett 13: 1981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FN16QG
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM50122307 (CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...) Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2| Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description Inhibitory concentration against human Inducible nitric oxide synthase				Bioorg Med Chem Lett 13: 1981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FN16QG
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50122307 (CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...) Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2| Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	5.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of mouse recombinant iNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assa...				J Med Chem 57: 1513-30 (2014) Article DOI: 10.1021/jm401838x BindingDB Entry DOI: 10.7270/Q2MP54SZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, brain (Rattus norvegicus (rat))	BDBM50122307 (CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...) Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2| Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	35	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University Curated by ChEMBL					Assay Description Inhibition of rat recombinant nNOS expressed in Escherichia coli using L-arginine as substrate assessed as NO production by hemoglobin capture assay				J Med Chem 57: 1513-30 (2014) Article DOI: 10.1021/jm401838x BindingDB Entry DOI: 10.7270/Q2MP54SZ
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50122307 (CHEMBL293212 | N-{4-[2-(3-Chloro-benzylamino)-ethy...) Show SMILES NC(=Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1 |w:2.2| Show InChI InChI=1S/C20H20ClN3S/c21-17-4-1-3-16(13-17)14-23-11-10-15-6-8-18(9-7-15)24-20(22)19-5-2-12-25-19/h1-9,12-13,23H,10-11,14H2,(H2,22,24)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Schering AG Curated by ChEMBL					Assay Description Inhibitory concentration against recombinant human Endothelial nitric oxide synthase				Bioorg Med Chem Lett 13: 1981-4 (2003) BindingDB Entry DOI: 10.7270/Q2FN16QG
					More data for this Ligand-Target Pair