BDBM50325183 6-(((3R,4R/3S,4S)-4-(3-(4-Chloro-3-fluorophenoxy)-phenoxy)pyrrolidin-3-yl)methyl)pyridin-2-amine::CHEMBL1222675

SMILES: Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)c(F)c3)c2)n1

InChI Key: InChIKey=ZDKTXUSNJNOZIM-SZNDQCEHSA-N

Data: 3 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 3 hits for monomerid = 50325183   

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))	BDBM50325183 (6-(((3R,4R/3S,4S)-4-(3-(4-Chloro-3-fluorophenoxy)-...) Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)c(F)c3)c2)n1 |r| Show InChI InChI=1S/C22H21ClFN3O2/c23-19-8-7-18(11-20(19)24)28-16-4-2-5-17(10-16)29-21-13-26-12-14(21)9-15-3-1-6-22(25)27-15/h1-8,10-11,14,21,26H,9,12-13H2,(H2,25,27)/t14-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	2.20E+3	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 rat recombinant nNOS expressed in Escherichia coli by hemoglobin capture assay				Bioorg Med Chem 18: 6526-37 (2010) Article DOI: 10.1016/j.bmc.2010.06.074 BindingDB Entry DOI: 10.7270/Q26110HX
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, endothelial (Bos taurus (bovine))	BDBM50325183 (6-(((3R,4R/3S,4S)-4-(3-(4-Chloro-3-fluorophenoxy)-...) Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)c(F)c3)c2)n1 |r| Show InChI InChI=1S/C22H21ClFN3O2/c23-19-8-7-18(11-20(19)24)28-16-4-2-5-17(10-16)29-21-13-26-12-14(21)9-15-3-1-6-22(25)27-15/h1-8,10-11,14,21,26H,9,12-13H2,(H2,25,27)/t14-,21+/m1/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.30E+3	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 bovine recombinant eNOS expressed in Escherichia coli by hemoglobin capture assay				Bioorg Med Chem 18: 6526-37 (2010) Article DOI: 10.1016/j.bmc.2010.06.074 BindingDB Entry DOI: 10.7270/Q26110HX
					More data for this Ligand-Target Pair
Nitric Oxide Synthase, inducible (Mus musculus (mouse))	BDBM50325183 (6-(((3R,4R/3S,4S)-4-(3-(4-Chloro-3-fluorophenoxy)-...) Show SMILES Nc1cccc(C[C@@H]2CNC[C@@H]2Oc2cccc(Oc3ccc(Cl)c(F)c3)c2)n1 |r| Show InChI InChI=1S/C22H21ClFN3O2/c23-19-8-7-18(11-20(19)24)28-16-4-2-5-17(10-16)29-21-13-26-12-14(21)9-15-3-1-6-22(25)27-15/h1-8,10-11,14,21,26H,9,12-13H2,(H2,25,27)/t14-,21+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	8.18E+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 mouse recombinant iNOS expressed in Escherichia coli by hemoglobin capture assay				Bioorg Med Chem 18: 6526-37 (2010) Article DOI: 10.1016/j.bmc.2010.06.074 BindingDB Entry DOI: 10.7270/Q26110HX
					More data for this Ligand-Target Pair