BDBM301681 US10131692, Compound 13

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)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1

InChI Key: InChIKey=TYNXNRIUTAFQSO-GUPRDMPJSA-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 = 301681   

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))	BDBM301681 (US10131692, Compound 13) 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)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C50H65ClN12O9S2/c1-29(2)42-48(71)60-37(26-40(52)64)45(68)61-38(49(72)63-21-7-14-39(63)47(70)58-34(13-6-20-55-50(53)54)43(66)56-27-31-10-4-3-5-11-31)28-73-22-9-15-41(65)57-35(24-30-16-18-32(51)19-17-30)44(67)59-36(46(69)62-42)25-33-12-8-23-74-33/h3-5,8,10-12,16-19,23,29,34-39,42H,6-7,9,13-15,20-22,24-28H2,1-2H3,(H2,52,64)(H,56,66)(H,58,70)(H,59,67)(H,60,71)(H,62,69)(H4,53,54,55)/t34-,35+,36+,37+,38+,39+,42+/m1/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
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM301681 (US10131692, Compound 13) 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)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C50H65ClN12O9S2/c1-29(2)42-48(71)60-37(26-40(52)64)45(68)61-38(49(72)63-21-7-14-39(63)47(70)58-34(13-6-20-55-50(53)54)43(66)56-27-31-10-4-3-5-11-31)28-73-22-9-15-41(65)57-35(24-30-16-18-32(51)19-17-30)44(67)59-36(46(69)62-42)25-33-12-8-23-74-33/h3-5,8,10-12,16-19,23,29,34-39,42H,6-7,9,13-15,20-22,24-28H2,1-2H3,(H2,52,64)(H,56,66)(H,58,70)(H,59,67)(H,60,71)(H,62,69)(H4,53,54,55)/t34-,35+,36+,37+,38+,39+,42+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.190	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))	BDBM301681 (US10131692, Compound 13) 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)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C50H65ClN12O9S2/c1-29(2)42-48(71)60-37(26-40(52)64)45(68)61-38(49(72)63-21-7-14-39(63)47(70)58-34(13-6-20-55-50(53)54)43(66)56-27-31-10-4-3-5-11-31)28-73-22-9-15-41(65)57-35(24-30-16-18-32(51)19-17-30)44(67)59-36(46(69)62-42)25-33-12-8-23-74-33/h3-5,8,10-12,16-19,23,29,34-39,42H,6-7,9,13-15,20-22,24-28H2,1-2H3,(H2,52,64)(H,56,66)(H,58,70)(H,59,67)(H,60,71)(H,62,69)(H4,53,54,55)/t34-,35+,36+,37+,38+,39+,42+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	150	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))	BDBM301681 (US10131692, Compound 13) 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)N1CCC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCc1ccccc1 |r,$;;;;;;;;;;;;;;;;;;;;;;;;;;N;;;;;;;;;N;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;$| Show InChI InChI=1S/C50H65ClN12O9S2/c1-29(2)42-48(71)60-37(26-40(52)64)45(68)61-38(49(72)63-21-7-14-39(63)47(70)58-34(13-6-20-55-50(53)54)43(66)56-27-31-10-4-3-5-11-31)28-73-22-9-15-41(65)57-35(24-30-16-18-32(51)19-17-30)44(67)59-36(46(69)62-42)25-33-12-8-23-74-33/h3-5,8,10-12,16-19,23,29,34-39,42H,6-7,9,13-15,20-22,24-28H2,1-2H3,(H2,52,64)(H,56,66)(H,58,70)(H,59,67)(H,60,71)(H,62,69)(H4,53,54,55)/t34-,35+,36+,37+,38+,39+,42+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	1.50E+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