BDBM301704 US10131692, Compound 36

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)N[C@H](CCCNC(N)=N)C(=O)NCc1cccs1

InChI Key: InChIKey=XEYCERMBJASMIJ-MLMVTELGSA-N

Data: 2 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 2 hits for monomerid = 301704   

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 V1b receptor (Homo sapiens (Human))	BDBM301704 (US10131692, Compound 36) 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)N[C@H](CCCNC(N)=N)C(=O)NCc1cccs1 |r| Show InChI InChI=1S/C47H63ClN12O9S4/c1-26(2)39-45(68)57-34(21-37(49)61)42(65)58-35(46(69)60-25-71-24-36(60)44(67)55-31(9-3-15-52-47(50)51)40(63)53-22-30-8-5-18-73-30)23-70-16-6-10-38(62)54-32(19-27-11-13-28(48)14-12-27)41(64)56-33(43(66)59-39)20-29-7-4-17-72-29/h4-5,7-8,11-14,17-18,26,31-36,39H,3,6,9-10,15-16,19-25H2,1-2H3,(H2,49,61)(H,53,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	9.56E+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 V2 receptor (Homo sapiens (Human))	BDBM301704 (US10131692, Compound 36) 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)N[C@H](CCCNC(N)=N)C(=O)NCc1cccs1 |r| Show InChI InChI=1S/C47H63ClN12O9S4/c1-26(2)39-45(68)57-34(21-37(49)61)42(65)58-35(46(69)60-25-71-24-36(60)44(67)55-31(9-3-15-52-47(50)51)40(63)53-22-30-8-5-18-73-30)23-70-16-6-10-38(62)54-32(19-27-11-13-28(48)14-12-27)41(64)56-33(43(66)59-39)20-29-7-4-17-72-29/h4-5,7-8,11-14,17-18,26,31-36,39H,3,6,9-10,15-16,19-25H2,1-2H3,(H2,49,61)(H,53,63)(H,54,62)(H,55,67)(H,56,64)(H,57,68)(H,58,65)(H,59,66)(H4,50,51,52)/t31-,32+,33+,34+,35+,36+,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	170	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