BDBM50023751 19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-16-isopropyl-12,15,18,21,24-pentaoxo-7,8-dithia-11,14,17,20,23-pentaaza-spiro[5.19]pentacosane-10-carboxylic acid [(1-carbamoyl-4-guanidino-butylcarbamoyl)-methyl]-(3-guanidino-propyl)-amide::CHEMBL2372281

SMILES: [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)cc1

InChI Key: InChIKey=RKWOSZKALALWQX-CUSBUNPBSA-N

Data: 2 KI

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 = 50023751   

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 (Sus scrofa)	BDBM50023751 (19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...) Show SMILES [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)cc1 Show InChI InChI=1S/C46H67N11O9S2/c1-4-66-30-17-15-29(16-18-30)23-32-40(61)54-33(22-28-12-7-5-8-13-28)42(63)57-38(27(2)3)44(65)55-34(24-36(47)58)41(62)56-35(43(64)53-31(39(48)60)14-11-21-51-45(49)50)26-67-68-46(25-37(59)52-32)19-9-6-10-20-46/h5,7-8,12-13,15-18,27,31-35,38H,4,6,9-11,14,19-26H2,1-3H3,(H2,47,58)(H2,48,60)(H,52,59)(H,53,64)(H,54,61)(H,55,65)(H,56,62)(H,57,63)(H4,49,50,51)/t31-,32+,33-,34-,35?,38-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	2.90	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in...				J Med Chem 31: 1487-9 (1988) BindingDB Entry DOI: 10.7270/Q2S46QZN
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50023751 (19-Benzyl-13-carbamoylmethyl-22-(4-ethoxy-benzyl)-...) Show SMILES [#6]-[#6]-[#8]-c1ccc(-[#6]-[#6@H]-2-[#7]-[#6](=O)-[#6]C3([#6]-[#6]-[#6]-[#6]-[#6]3)[#16]-[#16]-[#6]-[#6](-[#7]-[#6](=O)-[#6@H](-[#6]-[#6](-[#7])=O)-[#7]-[#6](=O)-[#6@@H](-[#7]-[#6](=O)-[#6@H](-[#6]-c3ccccc3)-[#7]-[#6]-2=O)-[#6](-[#6])-[#6])-[#6](=O)-[#7]-[#6@@H](-[#6]-[#6]-[#6]\[#7]=[#6](\[#7])-[#7])-[#6](-[#7])=O)cc1 Show InChI InChI=1S/C46H67N11O9S2/c1-4-66-30-17-15-29(16-18-30)23-32-40(61)54-33(22-28-12-7-5-8-13-28)42(63)57-38(27(2)3)44(65)55-34(24-36(47)58)41(62)56-35(43(64)53-31(39(48)60)14-11-21-51-45(49)50)26-67-68-46(25-37(59)52-32)19-9-6-10-20-46/h5,7-8,12-13,15-18,27,31-35,38H,4,6,9-11,14,19-26H2,1-3H3,(H2,47,58)(H2,48,60)(H,52,59)(H,53,64)(H,54,61)(H,55,65)(H,56,62)(H,57,63)(H4,49,50,51)/t31-,32+,33-,34-,35?,38-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.50E+6	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Smith Kline & French Laboratories Curated by ChEMBL					Assay Description In vitro antagonist activity of the compound was measured by inhibition of vasopressin-stimulated adenylate cyclase in renal medullary preparation in...				J Med Chem 31: 1487-9 (1988) BindingDB Entry DOI: 10.7270/Q2S46QZN
					More data for this Ligand-Target Pair