BDBM50453148 CHEMBL2372422

SMILES: [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(cc2)-[#7]=[N+]=[#7-])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O

InChI Key: InChIKey=BQLRGCYAAWQNHV-LGYYRGKSSA-N

Data: 2 Kd

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 = 50453148   

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 receptor (RAT)	BDBM50453148 (CHEMBL2372422) Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(cc2)-[#7]=[N+]=[#7-])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C46H64N18O12S2/c47-27-21-77-78-22-33(45(76)64-16-2-4-34(64)44(75)57-28(3-1-15-54-46(51)52)39(70)55-20-37(50)68)61-43(74)32(19-36(49)67)60-40(71)29(13-14-35(48)66)56-41(72)31(17-23-5-9-25(10-6-23)62-63-53)59-42(73)30(58-38(27)69)18-24-7-11-26(65)12-8-24/h5-12,27-34,65H,1-4,13-22,47H2,(H2,48,66)(H2,49,67)(H2,50,68)(H,55,70)(H,56,72)(H,57,75)(H,58,69)(H,59,73)(H,60,71)(H,61,74)(H4,51,52,54)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
University of Sherbrooke Curated by ChEMBL					Assay Description Negative log of Kd for Vasopressin V1 receptor				J Med Chem 35: 151-7 (1992) BindingDB Entry DOI: 10.7270/Q2668DT9
					More data for this Ligand-Target Pair
AVPR1A (RAT)	BDBM50453148 (CHEMBL2372422) Show SMILES [#7]-[#6@H]-1-[#6]-[#16]-[#16]-[#6]-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(cc2)-[#7]=[N+]=[#7-])-[#7]-[#6](=O)-[#6@H](-[#6]-c2ccc(-[#8])cc2)-[#7]-[#6]-1=O)-[#6](=O)-[#7]-1-[#6]-[#6]-[#6]-[#6@H]-1-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](/[#7])-[#7])-[#6](=O)-[#7]-[#6]-[#6](-[#7])=O |r| Show InChI InChI=1S/C46H64N18O12S2/c47-27-21-77-78-22-33(45(76)64-16-2-4-34(64)44(75)57-28(3-1-15-54-46(51)52)39(70)55-20-37(50)68)61-43(74)32(19-36(49)67)60-40(71)29(13-14-35(48)66)56-41(72)31(17-23-5-9-25(10-6-23)62-63-53)59-42(73)30(58-38(27)69)18-24-7-11-26(65)12-8-24/h5-12,27-34,65H,1-4,13-22,47H2,(H2,48,66)(H2,49,67)(H2,50,68)(H,55,70)(H,56,72)(H,57,75)(H,58,69)(H,59,73)(H,60,71)(H,61,74)(H4,51,52,54)/t27-,28-,29-,30-,31-,32-,33-,34-/m0/s1	UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	16	n/a	n/a	n/a	n/a	n/a
University of Sherbrooke Curated by ChEMBL					Assay Description Binding potency against Vasopressin V1 receptor in rat liver cells.				J Med Chem 35: 151-7 (1992) BindingDB Entry DOI: 10.7270/Q2668DT9
					More data for this Ligand-Target Pair