BDBM50525083 CHEMBL4439313

SMILES: CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCc1cccs1

InChI Key: InChIKey=AQCUQKJQKKRGGY-GUPRDMPJSA-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 = 50525083   

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))	BDBM50525083 (CHEMBL4439313) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C50H66ClFN12O9S3/c1-28(2)42-48(72)61-37(24-40(53)65)45(69)62-38(49(73)64-27-75-26-39(64)47(71)59-34(7-3-18-57-50(54)55)43(67)56-19-17-33-6-4-21-76-33)25-74-20-5-8-41(66)58-35(22-29-9-13-31(51)14-10-29)44(68)60-36(46(70)63-42)23-30-11-15-32(52)16-12-30/h4,6,9-16,21,28,34-39,42H,3,5,7-8,17-20,22-27H2,1-2H3,(H2,53,65)(H,56,67)(H,58,66)(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,70)(H4,54,55,57)/t34-,35+,36+,37+,38+,39+,42+/m1/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	100	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))	BDBM50525083 (CHEMBL4439313) Show SMILES CC(C)[C@@H]1NC(=O)[C@H](Cc2ccc(F)cc2)NC(=O)[C@H](Cc2ccc(Cl)cc2)NC(=O)CCCSC[C@H](NC(=O)[C@H](CC(N)=O)NC1=O)C(=O)N1CSC[C@H]1C(=O)N[C@H](CCCNC(N)=N)C(=O)NCCc1cccs1 |r| Show InChI InChI=1S/C50H66ClFN12O9S3/c1-28(2)42-48(72)61-37(24-40(53)65)45(69)62-38(49(73)64-27-75-26-39(64)47(71)59-34(7-3-18-57-50(54)55)43(67)56-19-17-33-6-4-21-76-33)25-74-20-5-8-41(66)58-35(22-29-9-13-31(51)14-10-29)44(68)60-36(46(70)63-42)23-30-11-15-32(52)16-12-30/h4,6,9-16,21,28,34-39,42H,3,5,7-8,17-20,22-27H2,1-2H3,(H2,53,65)(H,56,67)(H,58,66)(H,59,71)(H,60,68)(H,61,72)(H,62,69)(H,63,70)(H4,54,55,57)/t34-,35+,36+,37+,38+,39+,42+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	0.300	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