BDBM50350862 CHEMBL1817755

SMILES: CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

InChI Key: InChIKey=POXRMCHOCLKQPT-PFCVTPPASA-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 = 50350862   

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))	BDBM50350862 (CHEMBL1817755) Show SMILES CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H69N13O11S2/c1-4-15-49-16-9-13-27(38(62)50-21-35(48)60)51-42(66)32-14-10-17-57(32)44(68)31-23-70-69-22-26(45)37(61)52-28(18-25-11-7-6-8-12-25)41(65)56-36(24(3)5-2)43(67)54-30(20-34(47)59)39(63)53-29(19-33(46)58)40(64)55-31/h6-8,11-12,24,26-32,36,49H,4-5,9-10,13-23,45H2,1-3H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,50,62)(H,51,66)(H,52,61)(H,53,63)(H,54,67)(H,55,64)(H,56,65)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	31	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human vasopressin V1b receptor expressed in Flp-In-293 cells by luciferase reporter gene assay				J Med Chem 54: 4388-98 (2011) Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J
					More data for this Ligand-Target Pair
Oxytocin receptor (Homo sapiens (Human))	BDBM50350862 (CHEMBL1817755) Show SMILES CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H69N13O11S2/c1-4-15-49-16-9-13-27(38(62)50-21-35(48)60)51-42(66)32-14-10-17-57(32)44(68)31-23-70-69-22-26(45)37(61)52-28(18-25-11-7-6-8-12-25)41(65)56-36(24(3)5-2)43(67)54-30(20-34(47)59)39(63)53-29(19-33(46)58)40(64)55-31/h6-8,11-12,24,26-32,36,49H,4-5,9-10,13-23,45H2,1-3H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,50,62)(H,51,66)(H,52,61)(H,53,63)(H,54,67)(H,55,64)(H,56,65)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 human OT receptor expressed in CHO-K1 cells by luciferase reporter gene assay				J Med Chem 54: 4388-98 (2011) Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J
					More data for this Ligand-Target Pair
Vasopressin V2 receptor (Homo sapiens (Human))	BDBM50350862 (CHEMBL1817755) Show SMILES CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H69N13O11S2/c1-4-15-49-16-9-13-27(38(62)50-21-35(48)60)51-42(66)32-14-10-17-57(32)44(68)31-23-70-69-22-26(45)37(61)52-28(18-25-11-7-6-8-12-25)41(65)56-36(24(3)5-2)43(67)54-30(20-34(47)59)39(63)53-29(19-33(46)58)40(64)55-31/h6-8,11-12,24,26-32,36,49H,4-5,9-10,13-23,45H2,1-3H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,50,62)(H,51,66)(H,52,61)(H,53,63)(H,54,67)(H,55,64)(H,56,65)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	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 vasopressin V2 receptor expressed in HEK293 cells by luciferase reporter gene assay				J Med Chem 54: 4388-98 (2011) Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50350862 (CHEMBL1817755) Show SMILES CCCNCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSC[C@H](N)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C44H69N13O11S2/c1-4-15-49-16-9-13-27(38(62)50-21-35(48)60)51-42(66)32-14-10-17-57(32)44(68)31-23-70-69-22-26(45)37(61)52-28(18-25-11-7-6-8-12-25)41(65)56-36(24(3)5-2)43(67)54-30(20-34(47)59)39(63)53-29(19-33(46)58)40(64)55-31/h6-8,11-12,24,26-32,36,49H,4-5,9-10,13-23,45H2,1-3H3,(H2,46,58)(H2,47,59)(H2,48,60)(H,50,62)(H,51,66)(H,52,61)(H,53,63)(H,54,67)(H,55,64)(H,56,65)/t24-,26-,27-,28-,29-,30-,31-,32-,36-/m0/s1	PDB UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at recombinant human vasopressin V1a receptor expressed in HEK293 cells by luciferase reporter gene assay				J Med Chem 54: 4388-98 (2011) Article DOI: 10.1021/jm200278m BindingDB Entry DOI: 10.7270/Q2JW8F8J
					More data for this Ligand-Target Pair