BDBM50345068 (1,4-diazepan-1-yl)(5-methoxy-1-(4-methoxy-2,3-dimethylphenylsulfonyl)-2-methyl-1H-indol-3-yl)methanone::CHEMBL1779234

SMILES: COc1ccc2n(c(C)c(C(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C

InChI Key: InChIKey=PNQGELHLYTXMRZ-UHFFFAOYSA-N

Data: 4 KI  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 5 hits for monomerid = 50345068   

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 V1b receptor (Homo sapiens (Human))	BDBM50345068 ((1,4-diazepan-1-yl)(5-methoxy-1-(4-methoxy-2,3-dim...) Show SMILES COc1ccc2n(c(C)c(C(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C Show InChI InChI=1S/C25H31N3O5S/c1-16-17(2)23(10-9-22(16)33-5)34(30,31)28-18(3)24(20-15-19(32-4)7-8-21(20)28)25(29)27-13-6-11-26-12-14-27/h7-10,15,26H,6,11-14H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	190	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V1B receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3603-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.104 BindingDB Entry DOI: 10.7270/Q2833SCQ
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50345068 ((1,4-diazepan-1-yl)(5-methoxy-1-(4-methoxy-2,3-dim...) Show SMILES COc1ccc2n(c(C)c(C(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C Show InChI InChI=1S/C25H31N3O5S/c1-16-17(2)23(10-9-22(16)33-5)34(30,31)28-18(3)24(20-15-19(32-4)7-8-21(20)28)25(29)27-13-6-11-26-12-14-27/h7-10,15,26H,6,11-14H2,1-5H3	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V2 receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 21: 3603-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.104 BindingDB Entry DOI: 10.7270/Q2833SCQ
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50345068 ((1,4-diazepan-1-yl)(5-methoxy-1-(4-methoxy-2,3-dim...) Show SMILES COc1ccc2n(c(C)c(C(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C Show InChI InChI=1S/C25H31N3O5S/c1-16-17(2)23(10-9-22(16)33-5)34(30,31)28-18(3)24(20-15-19(32-4)7-8-21(20)28)25(29)27-13-6-11-26-12-14-27/h7-10,15,26H,6,11-14H2,1-5H3	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]-AVP from human vasopressin V1A receptor expressed in CHO cell membranes				Bioorg Med Chem Lett 21: 3603-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.104 BindingDB Entry DOI: 10.7270/Q2833SCQ
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50345068 ((1,4-diazepan-1-yl)(5-methoxy-1-(4-methoxy-2,3-dim...) Show SMILES COc1ccc2n(c(C)c(C(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C Show InChI InChI=1S/C25H31N3O5S/c1-16-17(2)23(10-9-22(16)33-5)34(30,31)28-18(3)24(20-15-19(32-4)7-8-21(20)28)25(29)27-13-6-11-26-12-14-27/h7-10,15,26H,6,11-14H2,1-5H3	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	>1.00E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Displacement of [3H]oxytocin from human oxytocin receptor expressed in CHO cells				Bioorg Med Chem Lett 21: 3603-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.104 BindingDB Entry DOI: 10.7270/Q2833SCQ
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM50345068 ((1,4-diazepan-1-yl)(5-methoxy-1-(4-methoxy-2,3-dim...) Show SMILES COc1ccc2n(c(C)c(C(=O)N3CCCNCC3)c2c1)S(=O)(=O)c1ccc(OC)c(C)c1C Show InChI InChI=1S/C25H31N3O5S/c1-16-17(2)23(10-9-22(16)33-5)34(30,31)28-18(3)24(20-15-19(32-4)7-8-21(20)28)25(29)27-13-6-11-26-12-14-27/h7-10,15,26H,6,11-14H2,1-5H3	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	371	n/a	n/a	n/a	n/a	n/a	n/a
MSD Curated by ChEMBL					Assay Description Antagonist activity at human vasopressin V1B receptor expressed in CHO cells assessed as inhibition of AVP-induced calcium mobilisation by luciferase...				Bioorg Med Chem Lett 21: 3603-7 (2011) Article DOI: 10.1016/j.bmcl.2011.04.104 BindingDB Entry DOI: 10.7270/Q2833SCQ
					More data for this Ligand-Target Pair