BDBM301677 US10131692, Compound 9

SMILES: CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N

InChI Key: InChIKey=COZIFKHBPYWONZ-ZABOXFJKSA-N

Data: 2 EC50

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 = 301677   

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))	BDBM301677 (US10131692, Compound 9) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r| Show InChI InChI=1S/C42H61N11O9S2/c1-24(2)35-40(61)50-30(22-33(43)55)37(58)51-31(41(62)53-17-5-9-32(53)39(60)46-15-3-4-16-47-42(44)45)23-63-18-7-10-34(56)48-28(20-25-11-13-26(54)14-12-25)36(57)49-29(38(59)52-35)21-27-8-6-19-64-27/h6,8,11-14,19,24,28-32,35,54H,3-5,7,9-10,15-18,20-23H2,1-2H3,(H2,43,55)(H,46,60)(H,48,56)(H,49,57)(H,50,61)(H,51,58)(H,52,59)(H4,44,45,47)/t28-,29-,30-,31-,32-,35-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	>1.00E+7	n/a	n/a	n/a	n/a
Ferring B.V. US Patent					Assay Description To determine selectivity, compounds were tested in luciferase-based transcriptional reporter gene assays expressing the human V1b receptor (hV1bR). A...				US Patent US10131692 (2018) BindingDB Entry DOI: 10.7270/Q2WQ05TR
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM301677 (US10131692, Compound 9) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(O)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)NCCCCNC(N)=N |r| Show InChI InChI=1S/C42H61N11O9S2/c1-24(2)35-40(61)50-30(22-33(43)55)37(58)51-31(41(62)53-17-5-9-32(53)39(60)46-15-3-4-16-47-42(44)45)23-63-18-7-10-34(56)48-28(20-25-11-13-26(54)14-12-25)36(57)49-29(38(59)52-35)21-27-8-6-19-64-27/h6,8,11-14,19,24,28-32,35,54H,3-5,7,9-10,15-18,20-23H2,1-2H3,(H2,43,55)(H,46,60)(H,48,56)(H,49,57)(H,50,61)(H,51,58)(H,52,59)(H4,44,45,47)/t28-,29-,30-,31-,32-,35-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	190	n/a	n/a	n/a	n/a
Ferring B.V. US Patent					Assay Description Agonist activity of compounds on the human V2 receptor (h V2R) was determined in a transcriptional reporter gene assay by transiently transfecting an...				US Patent US10131692 (2018) BindingDB Entry DOI: 10.7270/Q2WQ05TR
					More data for this Ligand-Target Pair