BDBM50087553 CHEMBL351970::N-[3-Chloro-4-(4,5-dihydro-2H-9-thia-1,2,6-triaza-cyclopenta[e]azulene-6-carbonyl)-phenyl]-5-fluoro-2-methyl-benzamide

SMILES: Fc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc23)c(Cl)c1

InChI Key: InChIKey=HAUDSCFTEURAFA-UHFFFAOYSA-N

Data: 1 IC50

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 1 hit for monomerid = 50087553   

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
Vasopressin V2 receptor (Rattus norvegicus (Rat))	BDBM50087553 (CHEMBL351970 | N-[3-Chloro-4-(4,5-dihydro-2H-9-thi...) Show SMILES Fc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)N2CCc3c[nH]nc3-c3sccc23)c(Cl)c1 Show InChI InChI=1S/C23H15Cl2FN4O2S/c24-13-1-4-18(26)16(9-13)22(31)28-14-2-3-15(17(25)10-14)23(32)30-7-5-12-11-27-29-20(12)21-19(30)6-8-33-21/h1-4,6,8-11H,5,7H2,(H,27,29)(H,28,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	36	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro for its binding affinity to rat V2 receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair