BDBM301708 US10131692, Compound 40

SMILES: CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N

InChI Key: InChIKey=NQLDKGXFJXYXAS-HWKKFYSMSA-N

Data: 4 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 4 hits for monomerid = 301708   

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 (Homo sapiens (Human))	BDBM301708 (US10131692, Compound 40) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N |r| Show InChI InChI=1S/C41H58ClN11O8S3/c1-23(2)34-39(60)50-29(19-32(43)54)36(57)51-30(40(61)53-22-63-21-31(53)38(59)46-13-3-4-14-47-41(44)45)20-62-15-6-8-33(55)48-27(17-24-9-11-25(42)12-10-24)35(56)49-28(37(58)52-34)18-26-7-5-16-64-26/h5,7,9-12,16,23,27-31,34H,3-4,6,8,13-15,17-22H2,1-2H3,(H2,43,54)(H,46,59)(H,48,55)(H,49,56)(H,50,60)(H,51,57)(H,52,58)(H4,44,45,47)/t27-,28-,29-,30-,31-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	120	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
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM301708 (US10131692, Compound 40) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N |r| Show InChI InChI=1S/C41H58ClN11O8S3/c1-23(2)34-39(60)50-29(19-32(43)54)36(57)51-30(40(61)53-22-63-21-31(53)38(59)46-13-3-4-14-47-41(44)45)20-62-15-6-8-33(55)48-27(17-24-9-11-25(42)12-10-24)35(56)49-28(37(58)52-34)18-26-7-5-16-64-26/h5,7,9-12,16,23,27-31,34H,3-4,6,8,13-15,17-22H2,1-2H3,(H2,43,54)(H,46,59)(H,48,55)(H,49,56)(H,50,60)(H,51,57)(H,52,58)(H4,44,45,47)/t27-,28-,29-,30-,31-,34-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	140	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human V1B receptor expressed in HEK293 cells measured after 5 hrs by luciferase reporter gene assay				J Med Chem 62: 4991-5005 (2019) Article DOI: 10.1021/acs.jmedchem.9b00132
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM301708 (US10131692, Compound 40) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N |r| Show InChI InChI=1S/C41H58ClN11O8S3/c1-23(2)34-39(60)50-29(19-32(43)54)36(57)51-30(40(61)53-22-63-21-31(53)38(59)46-13-3-4-14-47-41(44)45)20-62-15-6-8-33(55)48-27(17-24-9-11-25(42)12-10-24)35(56)49-28(37(58)52-34)18-26-7-5-16-64-26/h5,7,9-12,16,23,27-31,34H,3-4,6,8,13-15,17-22H2,1-2H3,(H2,43,54)(H,46,59)(H,48,55)(H,49,56)(H,50,60)(H,51,57)(H,52,58)(H4,44,45,47)/t27-,28-,29-,30-,31-,34-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.120	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human V2 receptor expressed in HEK293 cells measured after 5 hrs by cAMP response element driven luciferase reporter ...				J Med Chem 62: 4991-5005 (2019) Article DOI: 10.1021/acs.jmedchem.9b00132
					More data for this Ligand-Target Pair
Vasopressin V1b receptor (Homo sapiens (Human))	BDBM301708 (US10131692, Compound 40) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)NCCCCNC(N)=N |r| Show InChI InChI=1S/C41H58ClN11O8S3/c1-23(2)34-39(60)50-29(19-32(43)54)36(57)51-30(40(61)53-22-63-21-31(53)38(59)46-13-3-4-14-47-41(44)45)20-62-15-6-8-33(55)48-27(17-24-9-11-25(42)12-10-24)35(56)49-28(37(58)52-34)18-26-7-5-16-64-26/h5,7,9-12,16,23,27-31,34H,3-4,6,8,13-15,17-22H2,1-2H3,(H2,43,54)(H,46,59)(H,48,55)(H,49,56)(H,50,60)(H,51,57)(H,52,58)(H4,44,45,47)/t27-,28-,29-,30-,31-,34-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.41E+5	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