BDBM344412 US9783500, Compound 7

SMILES: NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1

InChI Key: InChIKey=ADYDYORVGGQJTJ-UHFFFAOYSA-N

Data: 10 KI

PDB links: 3 PDB IDs match 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 10 hits for monomerid = 344412   

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))	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	25	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	82	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, brain (Homo sapiens (Human))	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	135	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	160	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 wild type recombinant rat nNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay				J Med Chem 58: 8694-712 (2015) Article DOI: 10.1021/acs.jmedchem.5b01330 BindingDB Entry DOI: 10.7270/Q2R214C3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Homo sapiens (Human))	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	US Patent	4.83E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair
Nitric-oxide synthase, endothelial (Bos taurus (bovine))	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB Article PubMed	1.29E+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 assessed as nitric oxide production by hemoglobin capture assay				J Med Chem 58: 8694-712 (2015) Article DOI: 10.1021/acs.jmedchem.5b01330 BindingDB Entry DOI: 10.7270/Q2R214C3
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric-oxide synthase, brain (Mus musculus)	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	PDB US Patent	3.27E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Northwestern University US Patent					Assay Description Rat and human nNOS, murine macrophage iNOS, and human eNOS were recombinant enzymes (expressed in E. coli and purified as reported previously in the ...				US Patent US9783500 (2017) BindingDB Entry DOI: 10.7270/Q2930WBP
					More data for this Ligand-Target Pair				3D Structure (crystal)
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM344412 (US9783500, Compound 7) Show SMILES NCc1cccc(OCc2ccc3ccc(N)nc3c2)c1 Show InChI InChI=1S/C17H17N3O/c18-10-12-2-1-3-15(8-12)21-11-13-4-5-14-6-7-17(19)20-16(14)9-13/h1-9H,10-11,18H2,(H2,19,20)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	3.36E+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 murine iNOS expressed in Escherichia coli assessed as nitric oxide production by hemoglobin capture assay				J Med Chem 58: 8694-712 (2015) Article DOI: 10.1021/acs.jmedchem.5b01330 BindingDB Entry DOI: 10.7270/Q2R214C3
					More data for this Ligand-Target Pair