BDBM50175274 CHEMBL3809864::US10189809, Compound I-97

SMILES: Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1

InChI Key: InChIKey=NSGAFVFYXLWWOI-UHFFFAOYSA-N

Data: 1 IC50  2 EC50

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 = 50175274   

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
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50175274 (CHEMBL3809864 | US10189809, Compound I-97) Show SMILES Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1 Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-15(13-6-8-25-23-13)9-14(22-24)17-20-7-5-16(19)21-17/h1-9H,10H2,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	1.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Binding affinity to KOP receptor (unknown origin) at 10 uM				ACS Med Chem Lett 7: 465-9 (2016) BindingDB Entry DOI: 10.7270/Q2HM5BCF
					More data for this Ligand-Target Pair
Guanylate cyclase soluble subunit alpha-1 (Homo sapiens (Human))	BDBM50175274 (CHEMBL3809864 | US10189809, Compound I-97) Show SMILES Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1 Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-15(13-6-8-25-23-13)9-14(22-24)17-20-7-5-16(19)21-17/h1-9H,10H2,(H2,19,20,21)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	<2.00E+4	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals, Inc. US Patent					Assay Description Human embryonic kidney cells (HEK293), endogenously expressing soluble guanylate cyclase (sGC), were used to evaluate the activity of test compounds....				US Patent US10189809 (2019) BindingDB Entry DOI: 10.7270/Q27H1MQ6
					More data for this Ligand-Target Pair
Kappa-type opioid receptor (Homo sapiens (Human))	BDBM50175274 (CHEMBL3809864 | US10189809, Compound I-97) Show SMILES Nc1ccnc(n1)-c1cc(-c2ccon2)n(Cc2ccccc2F)n1 Show InChI InChI=1S/C17H13FN6O/c18-12-4-2-1-3-11(12)10-24-15(13-6-8-25-23-13)9-14(22-24)17-20-7-5-16(19)21-17/h1-9H,10H2,(H2,19,20,21)	PDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	PubMed	n/a	n/a	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a
Ironwood Pharmaceuticals, Inc. Curated by ChEMBL					Assay Description Agonist activity at KOP receptor (unknown origin)				ACS Med Chem Lett 7: 465-9 (2016) BindingDB Entry DOI: 10.7270/Q2HM5BCF
					More data for this Ligand-Target Pair