BDBM301683 US10131692, Compound 15

SMILES: CC(C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1

InChI Key: InChIKey=BTQOEBIPJIWAJO-UMAAOLLXSA-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 = 301683   

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))	BDBM301683 (US10131692, Compound 15) Show SMILES CC(C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r| Show InChI InChI=1S/C46H67ClN12O10S2/c1-24(2)38-44(68)56-33(21-36(48)61)41(65)57-34(45(69)59-22-28(60)19-35(59)43(67)54-30(39(63)52-25(3)4)9-5-15-51-46(49)50)23-70-16-7-10-37(62)53-31(18-26-11-13-27(47)14-12-26)40(64)55-32(42(66)58-38)20-29-8-6-17-71-29/h6,8,11-14,17,24-25,28,30-35,38,60H,5,7,9-10,15-16,18-23H2,1-4H3,(H2,48,61)(H,52,63)(H,53,62)(H,54,67)(H,55,64)(H,56,68)(H,57,65)(H,58,66)(H4,49,50,51)/t28-,30-,31+,32+,33+,34+,35+,38+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	5.77E+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
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM301683 (US10131692, Compound 15) Show SMILES CC(C)NC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2cccs2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r| Show InChI InChI=1S/C46H67ClN12O10S2/c1-24(2)38-44(68)56-33(21-36(48)61)41(65)57-34(45(69)59-22-28(60)19-35(59)43(67)54-30(39(63)52-25(3)4)9-5-15-51-46(49)50)23-70-16-7-10-37(62)53-31(18-26-11-13-27(47)14-12-26)40(64)55-32(42(66)58-38)20-29-8-6-17-71-29/h6,8,11-14,17,24-25,28,30-35,38,60H,5,7,9-10,15-16,18-23H2,1-4H3,(H2,48,61)(H,52,63)(H,53,62)(H,54,67)(H,55,64)(H,56,68)(H,57,65)(H,58,66)(H4,49,50,51)/t28-,30-,31+,32+,33+,34+,35+,38+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	US Patent	n/a	n/a	n/a	n/a	450	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