BDBM301676 US10131692, Compound 8

SMILES: CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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=HHXSLPKOTCDMNX-VGNPQVDOSA-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 = 301676   

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))	BDBM301676 (US10131692, Compound 8) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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/C44H62FN11O9S/c1-25(2)37-42(64)53-32(23-35(46)58)39(61)54-33(43(65)56-19-5-7-34(56)41(63)49-17-3-4-18-50-44(47)48)24-66-20-6-8-36(59)51-30(21-27-11-15-29(57)16-12-27)38(60)52-31(40(62)55-37)22-26-9-13-28(45)14-10-26/h9-16,25,30-34,37,57H,3-8,17-24H2,1-2H3,(H2,46,58)(H,49,63)(H,51,59)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,47,48,50)/t30-,31-,32-,33-,34-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	100	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 V2 receptor (Homo sapiens (Human))	BDBM301676 (US10131692, Compound 8) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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/C44H62FN11O9S/c1-25(2)37-42(64)53-32(23-35(46)58)39(61)54-33(43(65)56-19-5-7-34(56)41(63)49-17-3-4-18-50-44(47)48)24-66-20-6-8-36(59)51-30(21-27-11-15-29(57)16-12-27)38(60)52-31(40(62)55-37)22-26-9-13-28(45)14-10-26/h9-16,25,30-34,37,57H,3-8,17-24H2,1-2H3,(H2,46,58)(H,49,63)(H,51,59)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,47,48,50)/t30-,31-,32-,33-,34-,37-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.100	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))	BDBM301676 (US10131692, Compound 8) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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/C44H62FN11O9S/c1-25(2)37-42(64)53-32(23-35(46)58)39(61)54-33(43(65)56-19-5-7-34(56)41(63)49-17-3-4-18-50-44(47)48)24-66-20-6-8-36(59)51-30(21-27-11-15-29(57)16-12-27)38(60)52-31(40(62)55-37)22-26-9-13-28(45)14-10-26/h9-16,25,30-34,37,57H,3-8,17-24H2,1-2H3,(H2,46,58)(H,49,63)(H,51,59)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,47,48,50)/t30-,31-,32-,33-,34-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	180	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 V1b receptor (Homo sapiens (Human))	BDBM301676 (US10131692, Compound 8) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)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/C44H62FN11O9S/c1-25(2)37-42(64)53-32(23-35(46)58)39(61)54-33(43(65)56-19-5-7-34(56)41(63)49-17-3-4-18-50-44(47)48)24-66-20-6-8-36(59)51-30(21-27-11-15-29(57)16-12-27)38(60)52-31(40(62)55-37)22-26-9-13-28(45)14-10-26/h9-16,25,30-34,37,57H,3-8,17-24H2,1-2H3,(H2,46,58)(H,49,63)(H,51,59)(H,52,60)(H,53,64)(H,54,61)(H,55,62)(H4,47,48,50)/t30-,31-,32-,33-,34-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.76E+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