BDBM50087549 2,4-Dichloro-N-[4-(2-chloro-5,6,7,8-tetrahydro-thieno[3,2-b]azepine-4-carbonyl)-phenyl]-benzamide::CHEMBL159831

SMILES: Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1

InChI Key: InChIKey=KGJITLSWWDQHRZ-UHFFFAOYSA-N

Data: 2 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 2 hits for monomerid = 50087549   

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
AVPR1A (RAT)	BDBM50087549 (2,4-Dichloro-N-[4-(2-chloro-5,6,7,8-tetrahydro-thi...) Show SMILES Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C22H17Cl3N2O2S/c23-14-6-9-16(17(24)11-14)21(28)26-15-7-4-13(5-8-15)22(29)27-10-2-1-3-19-18(27)12-20(25)30-19/h4-9,11-12H,1-3,10H2,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	230	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity for rat V1a receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM50087549 (2,4-Dichloro-N-[4-(2-chloro-5,6,7,8-tetrahydro-thi...) Show SMILES Clc1cc2N(CCCCc2s1)C(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 Show InChI InChI=1S/C22H17Cl3N2O2S/c23-14-6-9-16(17(24)11-14)21(28)26-15-7-4-13(5-8-15)22(29)27-10-2-1-3-19-18(27)12-20(25)30-19/h4-9,11-12H,1-3,10H2,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	19	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description 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