BDBM50008084 1-[13-Benzyl-7-carbamoylmethyl-10-isopropyl-16-(4-nitro-benzyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaaza-cycloicosane-4-carbonyl]-pyrrolidine-2-carboxylic acid {5-amino-1-[1-carbamoyl-2-(4-hydroxy-phenyl)-ethylcarbamoyl]-pentyl}-amide::CHEMBL2372417

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+](-[#8-])=O)-[#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=RTLBWOXXFUFALK-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 = 50008084   

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)	BDBM50008084 (1-[13-Benzyl-7-carbamoylmethyl-10-isopropyl-16-(4-...) 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+](-[#8-])=O)-[#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/C46H64N16O14S2/c47-27-21-77-78-22-33(45(74)61-16-2-4-34(61)44(73)56-28(3-1-15-53-46(51)52)39(68)54-20-37(50)66)60-43(72)32(19-36(49)65)59-40(69)29(13-14-35(48)64)55-41(70)31(17-23-5-9-25(10-6-23)62(75)76)58-42(71)30(57-38(27)67)18-24-7-11-26(63)12-8-24/h5-12,27-34,63H,1-4,13-22,47H2,(H2,48,64)(H2,49,65)(H2,50,66)(H,54,68)(H,55,70)(H,56,73)(H,57,67)(H,58,71)(H,59,69)(H,60,72)(H4,51,52,53)/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	41	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
AVPR1A (RAT)	BDBM50008084 (1-[13-Benzyl-7-carbamoylmethyl-10-isopropyl-16-(4-...) 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+](-[#8-])=O)-[#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/C46H64N16O14S2/c47-27-21-77-78-22-33(45(74)61-16-2-4-34(61)44(73)56-28(3-1-15-53-46(51)52)39(68)54-20-37(50)66)60-43(72)32(19-36(49)65)59-40(69)29(13-14-35(48)64)55-41(70)31(17-23-5-9-25(10-6-23)62(75)76)58-42(71)30(57-38(27)67)18-24-7-11-26(63)12-8-24/h5-12,27-34,63H,1-4,13-22,47H2,(H2,48,64)(H2,49,65)(H2,50,66)(H,54,68)(H,55,70)(H,56,73)(H,57,67)(H,58,71)(H,59,69)(H,60,72)(H4,51,52,53)/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	41	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