BDBM50350848 CHEMBL1817701

SMILES: CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O

InChI Key: InChIKey=ZSJMMGZUABBAPA-HOHGFJJGSA-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 = 50350848   

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))	BDBM50350848 (CHEMBL1817701) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O13S2/c1-3-25(2)37-44(69)55-31(21-36(62)50-14-17-71-18-16-59)41(66)54-30(20-34(48)60)40(65)56-32(24-73-72-23-27(47)38(63)53-29(42(67)57-37)19-26-9-5-4-6-10-26)45(70)58-15-8-12-33(58)43(68)52-28(11-7-13-46)39(64)51-22-35(49)61/h4-6,9-10,25,27-33,37,59H,3,7-8,11-24,46-47H2,1-2H3,(H2,48,60)(H2,49,61)(H,50,62)(H,51,64)(H,52,68)(H,53,63)(H,54,66)(H,55,69)(H,56,65)(H,57,67)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	41	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))	BDBM50350848 (CHEMBL1817701) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O13S2/c1-3-25(2)37-44(69)55-31(21-36(62)50-14-17-71-18-16-59)41(66)54-30(20-34(48)60)40(65)56-32(24-73-72-23-27(47)38(63)53-29(42(67)57-37)19-26-9-5-4-6-10-26)45(70)58-15-8-12-33(58)43(68)52-28(11-7-13-46)39(64)51-22-35(49)61/h4-6,9-10,25,27-33,37,59H,3,7-8,11-24,46-47H2,1-2H3,(H2,48,60)(H2,49,61)(H,50,62)(H,51,64)(H,52,68)(H,53,63)(H,54,66)(H,55,69)(H,56,65)(H,57,67)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/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))	BDBM50350848 (CHEMBL1817701) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O13S2/c1-3-25(2)37-44(69)55-31(21-36(62)50-14-17-71-18-16-59)41(66)54-30(20-34(48)60)40(65)56-32(24-73-72-23-27(47)38(63)53-29(42(67)57-37)19-26-9-5-4-6-10-26)45(70)58-15-8-12-33(58)43(68)52-28(11-7-13-46)39(64)51-22-35(49)61/h4-6,9-10,25,27-33,37,59H,3,7-8,11-24,46-47H2,1-2H3,(H2,48,60)(H2,49,61)(H,50,62)(H,51,64)(H,52,68)(H,53,63)(H,54,66)(H,55,69)(H,56,65)(H,57,67)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/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))	BDBM50350848 (CHEMBL1817701) Show SMILES CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](N)CSSC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](CC(=O)NCCOCCO)NC1=O)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCN)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C45H71N13O13S2/c1-3-25(2)37-44(69)55-31(21-36(62)50-14-17-71-18-16-59)41(66)54-30(20-34(48)60)40(65)56-32(24-73-72-23-27(47)38(63)53-29(42(67)57-37)19-26-9-5-4-6-10-26)45(70)58-15-8-12-33(58)43(68)52-28(11-7-13-46)39(64)51-22-35(49)61/h4-6,9-10,25,27-33,37,59H,3,7-8,11-24,46-47H2,1-2H3,(H2,48,60)(H2,49,61)(H,50,62)(H,51,64)(H,52,68)(H,53,63)(H,54,66)(H,55,69)(H,56,65)(H,57,67)/t25-,27-,28-,29-,30-,31-,32-,33-,37-/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	4.80	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