BDBM50525078 CHEMBL4444891

SMILES: CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)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)NCCCCN

InChI Key: InChIKey=MXSJXPSHGDADFY-ZABOXFJKSA-N

Data: 3 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 3 hits for monomerid = 50525078   

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))	BDBM50525078 (CHEMBL4444891) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)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)NCCCCN |r| Show InChI InChI=1S/C41H59N9O9S2/c1-24(2)35-40(58)47-30(22-33(43)52)37(55)48-31(41(59)50-17-5-9-32(50)39(57)44-16-4-3-15-42)23-60-18-7-10-34(53)45-28(20-25-11-13-26(51)14-12-25)36(54)46-29(38(56)49-35)21-27-8-6-19-61-27/h6,8,11-14,19,24,28-32,35,51H,3-5,7,9-10,15-18,20-23,42H2,1-2H3,(H2,43,52)(H,44,57)(H,45,53)(H,46,54)(H,47,58)(H,48,55)(H,49,56)/t28-,29-,30-,31-,32-,35-/m0/s1	UniProtKB/SwissProt 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 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))	BDBM50525078 (CHEMBL4444891) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)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)NCCCCN |r| Show InChI InChI=1S/C41H59N9O9S2/c1-24(2)35-40(58)47-30(22-33(43)52)37(55)48-31(41(59)50-17-5-9-32(50)39(57)44-16-4-3-15-42)23-60-18-7-10-34(53)45-28(20-25-11-13-26(51)14-12-25)36(54)46-29(38(56)49-35)21-27-8-6-19-61-27/h6,8,11-14,19,24,28-32,35,51H,3-5,7,9-10,15-18,20-23,42H2,1-2H3,(H2,43,52)(H,44,57)(H,45,53)(H,46,54)(H,47,58)(H,48,55)(H,49,56)/t28-,29-,30-,31-,32-,35-/m0/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 V1a receptor (Homo sapiens (Human))	BDBM50525078 (CHEMBL4444891) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2cccs2)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)NCCCCN |r| Show InChI InChI=1S/C41H59N9O9S2/c1-24(2)35-40(58)47-30(22-33(43)52)37(55)48-31(41(59)50-17-5-9-32(50)39(57)44-16-4-3-15-42)23-60-18-7-10-34(53)45-28(20-25-11-13-26(51)14-12-25)36(54)46-29(38(56)49-35)21-27-8-6-19-61-27/h6,8,11-14,19,24,28-32,35,51H,3-5,7,9-10,15-18,20-23,42H2,1-2H3,(H2,43,52)(H,44,57)(H,45,53)(H,46,54)(H,47,58)(H,48,55)(H,49,56)/t28-,29-,30-,31-,32-,35-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	650	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human V1a 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