BDBM50452744 CHEMBL2370380

SMILES: [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#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@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O

InChI Key: InChIKey=HEOGSEYQLGIKGJ-OPTAABBPSA-N

Data: 1 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 1 hit for monomerid = 50452744   

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 (Rattus norvegicus (Rat))	BDBM50452744 (CHEMBL2370380) Show SMILES [#6]-[#6](-[#6])-[#6@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c1ccccc1)-[#7]-[#6](=O)-[#6@@H](-[#6]-c1ccc(-[#8])cc1)-[#7]-[#6](=O)-[#6]C12[#6]-[#6]-3-[#6]-[#6](-[#6]-[#6](-[#6]-3)-[#6]1)-[#6]2)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6](-[#7])=O)-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#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@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O |TLB:34:35:39:33.32.38,THB:36:35:32:37.39.38,36:37:32:35.40.34,34:33:39:35.40.36| Show InChI InChI=1S/C62H95N19O11/c1-34(2)50(80-55(89)45(27-35-10-4-3-5-11-35)78-53(87)44(28-36-16-18-40(82)19-17-36)74-49(84)33-62-30-37-24-38(31-62)26-39(25-37)32-62)57(91)79-46(29-48(63)83)54(88)77-43(14-8-22-73-61(69)70)58(92)81-23-9-15-47(81)56(90)76-42(13-7-21-72-60(67)68)52(86)75-41(51(64)85)12-6-20-71-59(65)66/h3-5,10-11,16-19,34,37-39,41-47,50,82H,6-9,12-15,20-33H2,1-2H3,(H2,63,83)(H2,64,85)(H,74,84)(H,75,86)(H,76,90)(H,77,88)(H,78,87)(H,79,91)(H,80,89)(H4,65,66,71)(H4,67,68,72)(H4,69,70,73)/t37?,38?,39?,41-,42-,43-,44+,45-,46-,47+,50-,62?/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	22	n/a	n/a	n/a	n/a	n/a
Medical College of Ohio Curated by ChEMBL					Assay Description Vasopressin V2 receptor antagonistic activity in vivo in anesthetized rats				J Med Chem 33: 3079-86 (1990) BindingDB Entry DOI: 10.7270/Q2TH8NX7
					More data for this Ligand-Target Pair