BDBM50240663 CHEMBL4078856

SMILES: CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O

InChI Key: InChIKey=YWDSCNHCHFNYJE-QPLNMOKZSA-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 = 50240663   

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
Oxytocin receptor (Homo sapiens (Human))	BDBM50240663 (CHEMBL4078856) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H65N11O12S2/c1-4-6-8-26(37(60)47-21-34(46)58)49-41(64)31-9-7-17-54(31)43(66)30-22-68-67-18-16-35(59)48-28(19-24-10-12-25(55)13-11-24)40(63)53-36(23(3)5-2)42(65)50-27(14-15-32(44)56)38(61)51-29(20-33(45)57)39(62)52-30/h10-13,23,26-31,36,55H,4-9,14-22H2,1-3H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,64)(H,50,65)(H,51,61)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,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	15	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human OTR expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR assay				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240663 (CHEMBL4078856) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H65N11O12S2/c1-4-6-8-26(37(60)47-21-34(46)58)49-41(64)31-9-7-17-54(31)43(66)30-22-68-67-18-16-35(59)48-28(19-24-10-12-25(55)13-11-24)40(63)53-36(23(3)5-2)42(65)50-27(14-15-32(44)56)38(61)51-29(20-33(45)57)39(62)52-30/h10-13,23,26-31,36,55H,4-9,14-22H2,1-3H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,64)(H,50,65)(H,51,61)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,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	4.40E+3	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description Agonist activity at human V1a receptor expressed in CHO cells assessed as calcium mobilization measured after 30 mins by Fluo-4-AM dye based FLIPR as...				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair
Vasopressin V1a receptor (Homo sapiens (Human))	BDBM50240663 (CHEMBL4078856) Show SMILES CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H]([C@@H](C)CC)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(N)=O)C(=O)N1)C(=O)NCC(N)=O |r| Show InChI InChI=1S/C43H65N11O12S2/c1-4-6-8-26(37(60)47-21-34(46)58)49-41(64)31-9-7-17-54(31)43(66)30-22-68-67-18-16-35(59)48-28(19-24-10-12-25(55)13-11-24)40(63)53-36(23(3)5-2)42(65)50-27(14-15-32(44)56)38(61)51-29(20-33(45)57)39(62)52-30/h10-13,23,26-31,36,55H,4-9,14-22H2,1-3H3,(H2,44,56)(H2,45,57)(H2,46,58)(H,47,60)(H,48,59)(H,49,64)(H,50,65)(H,51,61)(H,52,62)(H,53,63)/t23-,26-,27-,28-,29-,30-,31-,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	500	n/a	n/a	n/a	n/a
Takeda Pharmaceutical Company, Ltd. Curated by ChEMBL					Assay Description In vitro inhibitory activity against [3H]DTG binding to Sigma opioid receptor in guinea pig brain membrane homogenates				Bioorg Med Chem Lett 27: 2331-2335 (2017) Article DOI: 10.1016/j.bmcl.2017.04.030 BindingDB Entry DOI: 10.7270/Q2BR8V9Q
					More data for this Ligand-Target Pair