BDBM301709 US10131692, Compound 41

SMILES: CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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=KMFSARJWXULJLV-MWSMAVIUSA-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 = 301709   

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))	BDBM301709 (US10131692, Compound 41) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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/C43H59ClFN11O8S2/c1-24(2)36-41(63)53-31(20-34(46)57)38(60)54-32(42(64)56-23-66-22-33(56)40(62)49-15-3-4-16-50-43(47)48)21-65-17-5-6-35(58)51-29(18-25-7-11-27(44)12-8-25)37(59)52-30(39(61)55-36)19-26-9-13-28(45)14-10-26/h7-14,24,29-33,36H,3-6,15-23H2,1-2H3,(H2,46,57)(H,49,62)(H,51,58)(H,52,59)(H,53,63)(H,54,60)(H,55,61)(H4,47,48,50)/t29-,30-,31-,32-,33-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	220	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))	BDBM301709 (US10131692, Compound 41) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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/C43H59ClFN11O8S2/c1-24(2)36-41(63)53-31(20-34(46)57)38(60)54-32(42(64)56-23-66-22-33(56)40(62)49-15-3-4-16-50-43(47)48)21-65-17-5-6-35(58)51-29(18-25-7-11-27(44)12-8-25)37(59)52-30(39(61)55-36)19-26-9-13-28(45)14-10-26/h7-14,24,29-33,36H,3-6,15-23H2,1-2H3,(H2,46,57)(H,49,62)(H,51,58)(H,52,59)(H,53,63)(H,54,60)(H,55,61)(H4,47,48,50)/t29-,30-,31-,32-,33-,36-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	110	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))	BDBM301709 (US10131692, Compound 41) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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/C43H59ClFN11O8S2/c1-24(2)36-41(63)53-31(20-34(46)57)38(60)54-32(42(64)56-23-66-22-33(56)40(62)49-15-3-4-16-50-43(47)48)21-65-17-5-6-35(58)51-29(18-25-7-11-27(44)12-8-25)37(59)52-30(39(61)55-36)19-26-9-13-28(45)14-10-26/h7-14,24,29-33,36H,3-6,15-23H2,1-2H3,(H2,46,57)(H,49,62)(H,51,58)(H,52,59)(H,53,63)(H,54,60)(H,55,61)(H4,47,48,50)/t29-,30-,31-,32-,33-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.220	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))	BDBM301709 (US10131692, Compound 41) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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/C43H59ClFN11O8S2/c1-24(2)36-41(63)53-31(20-34(46)57)38(60)54-32(42(64)56-23-66-22-33(56)40(62)49-15-3-4-16-50-43(47)48)21-65-17-5-6-35(58)51-29(18-25-7-11-27(44)12-8-25)37(59)52-30(39(61)55-36)19-26-9-13-28(45)14-10-26/h7-14,24,29-33,36H,3-6,15-23H2,1-2H3,(H2,46,57)(H,49,62)(H,51,58)(H,52,59)(H,53,63)(H,54,60)(H,55,61)(H4,47,48,50)/t29-,30-,31-,32-,33-,36-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.14E+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