BDBM50413772 CHEMBL508811

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O

InChI Key: InChIKey=HIENMXAWDRUYEL-KDXYNCTASA-N

Data: 1 KI  1 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 = 50413772   

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
Urotensin II receptor (Homo sapiens (Human))	BDBM50413772 (CHEMBL508811) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C57H71N11O12S2/c1-32(2)47(56(77)78)66-54(75)46-31-81-82-57(3,4)48(67-49(70)40(59)26-34-17-21-37(22-18-34)68(79)80)55(76)64-44(27-33-12-6-5-7-13-33)51(72)63-45(29-36-30-60-41-15-9-8-14-39(36)41)53(74)61-42(16-10-11-25-58)50(71)62-43(52(73)65-46)28-35-19-23-38(69)24-20-35/h5-9,12-15,17-24,30,32,40,42-48,60,69H,10-11,16,25-29,31,58-59H2,1-4H3,(H,61,74)(H,62,71)(H,63,72)(H,64,76)(H,65,73)(H,66,75)(H,67,70)(H,77,78)/t40-,42-,43-,44-,45-,46-,47-,48-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	13.5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Displacement of [125I]urotensin-2 from human UT2 receptor expressed in CHO-K1 cells by liquid scintillation counting				J Med Chem 52: 3927-40 (2009) Article DOI: 10.1021/jm900148c BindingDB Entry DOI: 10.7270/Q27W6DFT
					More data for this Ligand-Target Pair
UTS2R (RAT)	BDBM50413772 (CHEMBL508811) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccc(cc2)[N+]([O-])=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C57H71N11O12S2/c1-32(2)47(56(77)78)66-54(75)46-31-81-82-57(3,4)48(67-49(70)40(59)26-34-17-21-37(22-18-34)68(79)80)55(76)64-44(27-33-12-6-5-7-13-33)51(72)63-45(29-36-30-60-41-15-9-8-14-39(36)41)53(74)61-42(16-10-11-25-58)50(71)62-43(52(73)65-46)28-35-19-23-38(69)24-20-35/h5-9,12-15,17-24,30,32,40,42-48,60,69H,10-11,16,25-29,31,58-59H2,1-4H3,(H,61,74)(H,62,71)(H,63,72)(H,64,76)(H,65,73)(H,66,75)(H,67,70)(H,77,78)/t40-,42-,43-,44-,45-,46-,47-,48-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	72.4	n/a	n/a	n/a	n/a
University of Naples Federico II Curated by ChEMBL					Assay Description Agonist activity at UT2 receptor in Albino rat aorta assessed as induction of aortic contraction				J Med Chem 52: 3927-40 (2009) Article DOI: 10.1021/jm900148c BindingDB Entry DOI: 10.7270/Q27W6DFT
					More data for this Ligand-Target Pair