BDBM50282233 CHEMBL4173036

SMILES: Cn1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F

InChI Key: InChIKey=ODUOLDJAKWTBDU-UHFFFAOYSA-N

Data: 2 KI  4 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 8 hits for monomerid = 50282233   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50282233 (CHEMBL4173036) Show SMILES Cn1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta				Eur J Med Chem 136: 330-333 (2017) Article DOI: 10.1016/j.ejmech.2017.05.013 BindingDB Entry DOI: 10.7270/Q2X63QG5
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50282233 (CHEMBL4173036) Show SMILES Cn1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta				Eur J Med Chem 136: 330-333 (2017) Article DOI: 10.1016/j.ejmech.2017.05.013 BindingDB Entry DOI: 10.7270/Q2X63QG5
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50282233 (CHEMBL4173036) Show SMILES Cn1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human OTR expressed in HEK293 cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluo...				Eur J Med Chem 136: 330-333 (2017) Article DOI: 10.1016/j.ejmech.2017.05.013 BindingDB Entry DOI: 10.7270/Q2X63QG5
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50282233 (CHEMBL4173036) Show SMILES Cn1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.100	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta; value ranges from 10.1-10.7				Eur J Med Chem 136: 330-333 (2017) Article DOI: 10.1016/j.ejmech.2017.05.013 BindingDB Entry DOI: 10.7270/Q2X63QG5
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50282233 (CHEMBL4173036) Show SMILES Cn1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	n/a	n/a	0.158	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Compound was evaluated for in vitro potency against angiotensin II receptor, type 1 in isolated rabbit aorta				Eur J Med Chem 136: 330-333 (2017) Article DOI: 10.1016/j.ejmech.2017.05.013 BindingDB Entry DOI: 10.7270/Q2X63QG5
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50282233 (CHEMBL4173036) Show SMILES Cn1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human OTR expressed in CHO cell membranes assessed as inhibition of OT-induced IP1 accumulation measured after 1 hr by fluores...				Eur J Med Chem 136: 330-333 (2017) Article DOI: 10.1016/j.ejmech.2017.05.013 BindingDB Entry DOI: 10.7270/Q2X63QG5
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50282233 (CHEMBL4173036) Show SMILES Cn1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description In vitro for histamine H1 receptor antagonist activity against histamine-induced contractions on isolated guinea pig ileum				Eur J Med Chem 136: 330-333 (2017) Article DOI: 10.1016/j.ejmech.2017.05.013 BindingDB Entry DOI: 10.7270/Q2X63QG5
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50282233 (CHEMBL4173036) Show SMILES Cn1nccc1NS(=O)(=O)c1ccc(cc1)C(F)(F)F Show InChI InChI=1S/C11H10F3N3O2S/c1-17-10(6-7-15-17)16-20(18,19)9-4-2-8(3-5-9)11(12,13)14/h2-7,16H,1H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	<1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a
The University of Sydney Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin 1a receptor expressed in CHO cell membranes assessed as inhibition of AVP-induced IP1 accumulation by measur...				Eur J Med Chem 136: 330-333 (2017) Article DOI: 10.1016/j.ejmech.2017.05.013 BindingDB Entry DOI: 10.7270/Q2X63QG5
					More data for this Ligand-Target Pair