BDBM50052954 2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-1-carbonyl)-phenyl]-benzamide::CHEMBL119793

SMILES: Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12

InChI Key: InChIKey=LAPHLPQSWLATBB-UHFFFAOYSA-N

Data: 4 KI  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 6 hits for monomerid = 50052954   

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 (Homo sapiens (Human))	BDBM50052954 (2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	2.68	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cells after 30 mins				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50052954 (2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	7.20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to vasopressin V2 receptor				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50052954 (2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	8.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to vasopressin V1a receptor				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50052954 (2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	30	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
UMR7200 CNRS/Universit£ de Strasbourg Curated by ChEMBL					Assay Description Binding affinity to oxytocin receptor				J Med Chem 55: 8588-602 (2012) Article DOI: 10.1021/jm3006146 BindingDB Entry DOI: 10.7270/Q28G8MT5
					More data for this Ligand-Target Pair
Vasopressin V2 Receptor (Rattus norvegicus (Rat))	BDBM50052954 (2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co. Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from its AVP-V2 receptor binding site in rat kidney				J Med Chem 39: 3547-55 (1996) Article DOI: 10.1021/jm960133o BindingDB Entry DOI: 10.7270/Q2DZ07CT
					More data for this Ligand-Target Pair
AVPR1A (RAT)	BDBM50052954 (2-Methyl-N-[4-(2,3,4,5-tetrahydro-benzo[b]azepine-...) Show SMILES Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2ccccc12 Show InChI InChI=1S/C25H24N2O2/c1-18-8-2-4-11-22(18)24(28)26-21-15-13-20(14-16-21)25(29)27-17-7-6-10-19-9-3-5-12-23(19)27/h2-5,8-9,11-16H,6-7,10,17H2,1H3,(H,26,28)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	56	n/a	n/a	n/a	n/a	n/a	n/a
Otsuka Pharmaceutical Co. Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from AVP-V1a receptor binding site in rat liver				J Med Chem 39: 3547-55 (1996) Article DOI: 10.1021/jm960133o BindingDB Entry DOI: 10.7270/Q2DZ07CT
					More data for this Ligand-Target Pair