BDBM50413764 CHEMBL504097

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)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=FMTFMWIPJWCITH-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 = 50413764   

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))	BDBM50413764 (CHEMBL504097) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)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/C57H72N10O10S2/c1-33(2)47(56(76)77)66-54(74)46-32-78-79-57(3,4)48(67-49(69)40(59)27-34-15-7-5-8-16-34)55(75)64-44(28-35-17-9-6-10-18-35)51(71)63-45(30-37-31-60-41-20-12-11-19-39(37)41)53(73)61-42(21-13-14-26-58)50(70)62-43(52(72)65-46)29-36-22-24-38(68)25-23-36/h5-12,15-20,22-25,31,33,40,42-48,60,68H,13-14,21,26-30,32,58-59H2,1-4H3,(H,61,73)(H,62,70)(H,63,71)(H,64,75)(H,65,72)(H,66,74)(H,67,69)(H,76,77)/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	0.282	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)	BDBM50413764 (CHEMBL504097) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC(C)(C)[C@@H](NC(=O)[C@@H](N)Cc2ccccc2)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/C57H72N10O10S2/c1-33(2)47(56(76)77)66-54(74)46-32-78-79-57(3,4)48(67-49(69)40(59)27-34-15-7-5-8-16-34)55(75)64-44(28-35-17-9-6-10-18-35)51(71)63-45(30-37-31-60-41-20-12-11-19-39(37)41)53(73)61-42(21-13-14-26-58)50(70)62-43(52(72)65-46)29-36-22-24-38(68)25-23-36/h5-12,15-20,22-25,31,33,40,42-48,60,68H,13-14,21,26-30,32,58-59H2,1-4H3,(H,61,73)(H,62,70)(H,63,71)(H,64,75)(H,65,72)(H,66,74)(H,67,69)(H,76,77)/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	0.661	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