BDBM50269957 CHEMBL4068478

SMILES: Cl.NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O

InChI Key: InChIKey=BCLPXLICAKCQJY-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 = 50269957   

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)	BDBM50269957 (CHEMBL4068478) Show SMILES Cl.NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:5| Show InChI InChI=1S/C33H31N5OS/c34-21-8-22-38-33(39)37(23-24-15-17-26(18-16-24)25-9-2-1-3-10-25)30-13-6-4-11-27(30)28(36-38)19-20-32-35-29-12-5-7-14-31(29)40-32/h1-7,9-18H,8,19-23,34H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	3.70	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)	BDBM50269957 (CHEMBL4068478) Show SMILES Cl.NCCCN1N=C(CCc2nc3ccccc3s2)c2ccccc2N(Cc2ccc(cc2)-c2ccccc2)C1=O |t:5| Show InChI InChI=1S/C33H31N5OS/c34-21-8-22-38-33(39)37(23-24-15-17-26(18-16-24)25-9-2-1-3-10-25)30-13-6-4-11-27(30)28(36-38)19-20-32-35-29-12-5-7-14-31(29)40-32/h1-7,9-18H,8,19-23,34H2	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.40	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