BDBM50525084 CHEMBL4528032

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)N[C@H](CO)CCCNC(N)=N

InChI Key: InChIKey=VEFXJYXHOJJJST-XVHTWCIUSA-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 = 50525084   

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))	BDBM50525084 (CHEMBL4528032) 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)N[C@H](CO)CCCNC(N)=N |r| Show InChI InChI=1S/C43H63N11O10S2/c1-24(2)36-41(63)51-31(21-34(44)57)38(60)52-32(42(64)54-16-4-9-33(54)40(62)48-26(22-55)7-3-15-47-43(45)46)23-65-17-6-10-35(58)49-29(19-25-11-13-27(56)14-12-25)37(59)50-30(39(61)53-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,26,29-33,36,55-56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,44,57)(H,48,62)(H,49,58)(H,50,59)(H,51,63)(H,52,60)(H,53,61)(H4,45,46,47)/t26-,29-,30-,31-,32-,33-,36-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	230	n/a	n/a	n/a	n/a
Ferring Research Institute Inc. Curated by ChEMBL					Assay Description Agonist activity at human OTR stably expressed in CHOK1 cells by NFAT-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))	BDBM50525084 (CHEMBL4528032) 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)N[C@H](CO)CCCNC(N)=N |r| Show InChI InChI=1S/C43H63N11O10S2/c1-24(2)36-41(63)51-31(21-34(44)57)38(60)52-32(42(64)54-16-4-9-33(54)40(62)48-26(22-55)7-3-15-47-43(45)46)23-65-17-6-10-35(58)49-29(19-25-11-13-27(56)14-12-25)37(59)50-30(39(61)53-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,26,29-33,36,55-56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,44,57)(H,48,62)(H,49,58)(H,50,59)(H,51,63)(H,52,60)(H,53,61)(H4,45,46,47)/t26-,29-,30-,31-,32-,33-,36-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.100	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 V1b receptor (Homo sapiens (Human))	BDBM50525084 (CHEMBL4528032) 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)N[C@H](CO)CCCNC(N)=N |r| Show InChI InChI=1S/C43H63N11O10S2/c1-24(2)36-41(63)51-31(21-34(44)57)38(60)52-32(42(64)54-16-4-9-33(54)40(62)48-26(22-55)7-3-15-47-43(45)46)23-65-17-6-10-35(58)49-29(19-25-11-13-27(56)14-12-25)37(59)50-30(39(61)53-36)20-28-8-5-18-66-28/h5,8,11-14,18,24,26,29-33,36,55-56H,3-4,6-7,9-10,15-17,19-23H2,1-2H3,(H2,44,57)(H,48,62)(H,49,58)(H,50,59)(H,51,63)(H,52,60)(H,53,61)(H4,45,46,47)/t26-,29-,30-,31-,32-,33-,36-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	520	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