BDBM50087545 2,4-Dichloro-N-[4-(2-methyl-4,5-dihydro-2H-9-thia-1,2,6-triaza-cyclopenta[e]azulene-6-carbonyl)-phenyl]-benzamide::CHEMBL349506

SMILES: Cn1cc2CCN(C(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)c3ccsc3-c2n1

InChI Key: InChIKey=XXRAFEGBKSUIRZ-UHFFFAOYSA-N

Data: 4 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 4 hits for monomerid = 50087545   

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 V1a receptor (Homo sapiens (Human))	BDBM50087545 (2,4-Dichloro-N-[4-(2-methyl-4,5-dihydro-2H-9-thia-...) Show SMILES Cn1cc2CCN(C(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)c3ccsc3-c2n1 Show InChI InChI=1S/C24H18Cl2N4O2S/c1-29-13-15-8-10-30(20-9-11-33-22(20)21(15)28-29)24(32)14-2-5-17(6-3-14)27-23(31)18-7-4-16(25)12-19(18)26/h2-7,9,11-13H,8,10H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	4.10E+3	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity to human 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 (Homo sapiens (Human))	BDBM50087545 (2,4-Dichloro-N-[4-(2-methyl-4,5-dihydro-2H-9-thia-...) Show SMILES Cn1cc2CCN(C(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)c3ccsc3-c2n1 Show InChI InChI=1S/C24H18Cl2N4O2S/c1-29-13-15-8-10-30(20-9-11-33-22(20)21(15)28-29)24(32)14-2-5-17(6-3-14)27-23(31)18-7-4-16(25)12-19(18)26/h2-7,9,11-13H,8,10H2,1H3,(H,27,31)	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	150	n/a	n/a	n/a	n/a	n/a	n/a
Wyeth-Ayerst Research Curated by ChEMBL					Assay Description In vitro binding affinity to human V2 receptor				Bioorg Med Chem Lett 10: 695-8 (2000) BindingDB Entry DOI: 10.7270/Q2X34WP8
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (RAT)	BDBM50087545 (2,4-Dichloro-N-[4-(2-methyl-4,5-dihydro-2H-9-thia-...) Show SMILES Cn1cc2CCN(C(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)c3ccsc3-c2n1 Show InChI InChI=1S/C24H18Cl2N4O2S/c1-29-13-15-8-10-30(20-9-11-33-22(20)21(15)28-29)24(32)14-2-5-17(6-3-14)27-23(31)18-7-4-16(25)12-19(18)26/h2-7,9,11-13H,8,10H2,1H3,(H,27,31)	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	2.10E+3	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))	BDBM50087545 (2,4-Dichloro-N-[4-(2-methyl-4,5-dihydro-2H-9-thia-...) Show SMILES Cn1cc2CCN(C(=O)c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)c3ccsc3-c2n1 Show InChI InChI=1S/C24H18Cl2N4O2S/c1-29-13-15-8-10-30(20-9-11-33-22(20)21(15)28-29)24(32)14-2-5-17(6-3-14)27-23(31)18-7-4-16(25)12-19(18)26/h2-7,9,11-13H,8,10H2,1H3,(H,27,31)	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	38	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