null

SMILES: CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N

InChI Key: InChIKey=OSZHJPUENJAJIV-HTRMGZLOSA-N

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 5 hits for monomerid = 301693   

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))	BDBM301693 (US10131692, Compound 25) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r| Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)53-32(22-34(45)57)38(60)51-29(42(64)55-16-4-8-33(55)40(62)49-27(23-56)6-3-15-48-43(46)47)13-18-65-19-14-35(58)50-30(20-25-9-11-26(44)12-10-25)37(59)52-31(39(61)54-36)21-28-7-5-17-66-28/h5,7,9-12,17,24,27,29-33,36,56H,3-4,6,8,13-16,18-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,60)(H,52,59)(H,53,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	80	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))	BDBM301693 (US10131692, Compound 25) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r| Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)53-32(22-34(45)57)38(60)51-29(42(64)55-16-4-8-33(55)40(62)49-27(23-56)6-3-15-48-43(46)47)13-18-65-19-14-35(58)50-30(20-25-9-11-26(44)12-10-25)37(59)52-31(39(61)54-36)21-28-7-5-17-66-28/h5,7,9-12,17,24,27,29-33,36,56H,3-4,6,8,13-16,18-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,60)(H,52,59)(H,53,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	6.43E+4	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 V1b receptor (Homo sapiens (Human))	BDBM301693 (US10131692, Compound 25) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r| Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)53-32(22-34(45)57)38(60)51-29(42(64)55-16-4-8-33(55)40(62)49-27(23-56)6-3-15-48-43(46)47)13-18-65-19-14-35(58)50-30(20-25-9-11-26(44)12-10-25)37(59)52-31(39(61)54-36)21-28-7-5-17-66-28/h5,7,9-12,17,24,27,29-33,36,56H,3-4,6,8,13-16,18-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,60)(H,52,59)(H,53,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	64	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))	BDBM301693 (US10131692, Compound 25) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r| Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)53-32(22-34(45)57)38(60)51-29(42(64)55-16-4-8-33(55)40(62)49-27(23-56)6-3-15-48-43(46)47)13-18-65-19-14-35(58)50-30(20-25-9-11-26(44)12-10-25)37(59)52-31(39(61)54-36)21-28-7-5-17-66-28/h5,7,9-12,17,24,27,29-33,36,56H,3-4,6,8,13-16,18-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,60)(H,52,59)(H,53,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.0800	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
Oxytocin receptor (Homo sapiens (Human))	BDBM301693 (US10131692, Compound 25) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCSCC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)CCCNC(N)=N |r| Show InChI InChI=1S/C43H62ClN11O9S2/c1-24(2)36-41(63)53-32(22-34(45)57)38(60)51-29(42(64)55-16-4-8-33(55)40(62)49-27(23-56)6-3-15-48-43(46)47)13-18-65-19-14-35(58)50-30(20-25-9-11-26(44)12-10-25)37(59)52-31(39(61)54-36)21-28-7-5-17-66-28/h5,7,9-12,17,24,27,29-33,36,56H,3-4,6,8,13-16,18-23H2,1-2H3,(H2,45,57)(H,49,62)(H,50,58)(H,51,60)(H,52,59)(H,53,63)(H,54,61)(H4,46,47,48)/t27-,29+,30+,31+,32+,33+,36+/m1/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	>1.00E+4	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at human OTR stably expressed in CHOK1 cells by NFAT-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