BDBM50525081 CHEMBL4462616

SMILES: CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1

InChI Key: InChIKey=OGRNRYXKGMIVFZ-SKGYAMTKSA-N

Data: 2 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 2 hits for monomerid = 50525081   

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))	BDBM50525081 (CHEMBL4462616) Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r| Show InChI InChI=1S/C47H67ClN12O10S/c1-4-52-40(64)31(12-8-18-53-47(50)51)55-44(68)36-22-30(61)24-60(36)46(70)35-25-71-19-9-13-38(63)54-32(21-28-14-16-29(48)17-15-28)41(65)56-33(20-27-10-6-5-7-11-27)43(67)59-39(26(2)3)45(69)57-34(23-37(49)62)42(66)58-35/h5-7,10-11,14-17,26,30-36,39,61H,4,8-9,12-13,18-25H2,1-3H3,(H2,49,62)(H,52,64)(H,54,63)(H,55,68)(H,56,65)(H,57,69)(H,58,66)(H,59,67)(H4,50,51,53)/t30-,31-,32+,33+,34+,35+,36+,39+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	150	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))	BDBM50525081 (CHEMBL4462616) Show SMILES CCNC(=O)[C@@H](CCCNC(N)=N)NC(=O)[C@@H]1C[C@@H](O)CN1C(=O)[C@@H]1CSCCCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N1 |r| Show InChI InChI=1S/C47H67ClN12O10S/c1-4-52-40(64)31(12-8-18-53-47(50)51)55-44(68)36-22-30(61)24-60(36)46(70)35-25-71-19-9-13-38(63)54-32(21-28-14-16-29(48)17-15-28)41(65)56-33(20-27-10-6-5-7-11-27)43(67)59-39(26(2)3)45(69)57-34(23-37(49)62)42(66)58-35/h5-7,10-11,14-17,26,30-36,39,61H,4,8-9,12-13,18-25H2,1-3H3,(H2,49,62)(H,52,64)(H,54,63)(H,55,68)(H,56,65)(H,57,69)(H,58,66)(H,59,67)(H4,50,51,53)/t30-,31-,32+,33+,34+,35+,36+,39+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.290	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