BDBM50269959 CHEMBL4064003

SMILES: Cl.CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O

InChI Key: InChIKey=ZQCMMLQLPFBYSP-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 = 50269959   

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)	BDBM50269959 (CHEMBL4064003) Show SMILES Cl.CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:7| Show InChI InChI=1S/C35H35N5OS/c1-36-23-9-10-24-40-35(41)39(25-26-17-19-28(20-18-26)27-11-3-2-4-12-27)32-15-7-5-13-29(32)30(38-40)21-22-34-37-31-14-6-8-16-33(31)42-34/h2-8,11-20,36H,9-10,21-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	15	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)	BDBM50269959 (CHEMBL4064003) Show SMILES Cl.CNCCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:7| Show InChI InChI=1S/C35H35N5OS/c1-36-23-9-10-24-40-35(41)39(25-26-17-19-28(20-18-26)27-11-3-2-4-12-27)32-15-7-5-13-29(32)30(38-40)21-22-34-37-31-14-6-8-16-33(31)42-34/h2-8,11-20,36H,9-10,21-25H2,1H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	6	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