BDBM50269969 CHEMBL4060368

SMILES: Cl.NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O

InChI Key: InChIKey=WXOBGDOALRTKHY-UHFFFAOYSA-N

Data: 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 2 hits for monomerid = 50269969   

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
UTS2R (RAT)	BDBM50269969 (CHEMBL4060368) Show SMILES Cl.NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:6| Show InChI InChI=1S/C32H31N5OS/c33-19-7-8-20-37-32(38)36(22-23-15-16-24-9-1-2-10-25(24)21-23)29-13-5-3-11-26(29)27(35-37)17-18-31-34-28-12-4-6-14-30(28)39-31/h1-6,9-16,21H,7-8,17-20,22,33H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3.5	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in URP-mediated aortic ring contraction by meas...				J Med Chem 60: 9838-9859 (2017) Article DOI: 10.1021/acs.jmedchem.7b01525 BindingDB Entry DOI: 10.7270/Q2V1279D
					More data for this Ligand-Target Pair
UTS2R (RAT)	BDBM50269969 (CHEMBL4060368) Show SMILES Cl.NCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc3ccccc3c2)C1=O |t:6| Show InChI InChI=1S/C32H31N5OS/c33-19-7-8-20-37-32(38)36(22-23-15-16-24-9-1-2-10-25(24)21-23)29-13-5-3-11-26(29)27(35-37)17-18-31-34-28-12-4-6-14-30(28)39-31/h1-6,9-16,21H,7-8,17-20,22,33H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	3	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Allosteric modulation of urotensin-2 receptor in Sprague-Dawley rat thoracic aorta assessed as change in human urotensin-2-mediated aortic ring contr...				J Med Chem 60: 9838-9859 (2017) Article DOI: 10.1021/acs.jmedchem.7b01525 BindingDB Entry DOI: 10.7270/Q2V1279D
					More data for this Ligand-Target Pair