BDBM50511751 CHEMBL4465991

SMILES: Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cscn2)c(CN)c1

InChI Key: InChIKey=QMLWVSKDYLAYRJ-UHFFFAOYSA-N

Data: 4 KI

PDB links: 2 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 4 hits for monomerid = 50511751   

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))	BDBM50511751 (CHEMBL4465991) Show SMILES Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cscn2)c(CN)c1 Show InChI InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	31	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 human nNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured fo...				J Med Chem 63: 4528-4554 (2020) Article DOI: 10.1021/acs.jmedchem.9b01573
					More data for this Ligand-Target Pair
Nitric-oxide synthase, brain (Rattus norvegicus (rat))	BDBM50511751 (CHEMBL4465991) Show SMILES Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cscn2)c(CN)c1 Show InChI InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	43	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 nNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured for ...				J Med Chem 63: 4528-4554 (2020) Article DOI: 10.1021/acs.jmedchem.9b01573
					More data for this Ligand-Target Pair
Nitric oxide synthase, inducible (Mus musculus (mouse))	BDBM50511751 (CHEMBL4465991) Show SMILES Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cscn2)c(CN)c1 Show InChI InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	4.32E+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 mouse iNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured fo...				J Med Chem 63: 4528-4554 (2020) Article DOI: 10.1021/acs.jmedchem.9b01573
					More data for this Ligand-Target Pair
Nitric oxide synthase, endothelial (Homo sapiens (Human))	BDBM50511751 (CHEMBL4465991) Show SMILES Cc1cc(N)nc2cc(ccc12)-c1ccc(OCc2cscn2)c(CN)c1 Show InChI InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid PDB UniChem	Article PubMed	6.20E+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 human eNOS expressed in Escherichia coli expression system assessed as reduction in NO production in presence of L-arginine measured fo...				J Med Chem 63: 4528-4554 (2020) Article DOI: 10.1021/acs.jmedchem.9b01573
					More data for this Ligand-Target Pair