BDBM50185139 CHEMBL3823939

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

InChI Key: InChIKey=YGJGQHVSIZPCAX-ZVYXGVGTSA-N

Data: 1 IC50  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 3 hits for monomerid = 50185139   

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
UTS2R (RAT)	BDBM50185139 (CHEMBL3823939) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H67N11O13S3/c1-29(2)43(50(71)72)57-48(69)41-28-76-75-27-40(55-44(65)35(51)25-42(63)64)47(68)53-37(22-30-12-6-5-7-13-30)45(66)54-38(24-32-26-52-36-15-9-8-14-34(32)36)49(70)58-61(21-11-10-20-60(3)4)77(73,74)59-39(46(67)56-41)23-31-16-18-33(62)19-17-31/h5-9,12-19,26,29,35,37-41,43,52,59,62H,10-11,20-25,27-28,51H2,1-4H3,(H,53,68)(H,54,66)(H,55,65)(H,56,67)(H,57,69)(H,58,70)(H,63,64)(H,71,72)/t35-,37-,38-,39-,40-,41-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	3.70	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Antagonist activity at UT2 receptor in Sprague-Dawley rat thoracic aorta ring assessed as pEC50 for URP -induced aortic contractions at 10'-5M relati...				J Med Chem 59: 4740-52 (2016) BindingDB Entry DOI: 10.7270/Q2SB47Q1
					More data for this Ligand-Target Pair
Urotensin II receptor (Homo sapiens (Human))	BDBM50185139 (CHEMBL3823939) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H67N11O13S3/c1-29(2)43(50(71)72)57-48(69)41-28-76-75-27-40(55-44(65)35(51)25-42(63)64)47(68)53-37(22-30-12-6-5-7-13-30)45(66)54-38(24-32-26-52-36-15-9-8-14-34(32)36)49(70)58-61(21-11-10-20-60(3)4)77(73,74)59-39(46(67)56-41)23-31-16-18-33(62)19-17-31/h5-9,12-19,26,29,35,37-41,43,52,59,62H,10-11,20-25,27-28,51H2,1-4H3,(H,53,68)(H,54,66)(H,55,65)(H,56,67)(H,57,69)(H,58,70)(H,63,64)(H,71,72)/t35-,37-,38-,39-,40-,41-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	>1.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Displacement of [125I]-hU2 from human UT2 receptor expressed in CHO cells after 90 mins by gamma counter assay				J Med Chem 59: 4740-52 (2016) BindingDB Entry DOI: 10.7270/Q2SB47Q1
					More data for this Ligand-Target Pair
UTS2R (RAT)	BDBM50185139 (CHEMBL3823939) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@@H](N)CC(O)=O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)NN(CCCCN(C)C)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H67N11O13S3/c1-29(2)43(50(71)72)57-48(69)41-28-76-75-27-40(55-44(65)35(51)25-42(63)64)47(68)53-37(22-30-12-6-5-7-13-30)45(66)54-38(24-32-26-52-36-15-9-8-14-34(32)36)49(70)58-61(21-11-10-20-60(3)4)77(73,74)59-39(46(67)56-41)23-31-16-18-33(62)19-17-31/h5-9,12-19,26,29,35,37-41,43,52,59,62H,10-11,20-25,27-28,51H2,1-4H3,(H,53,68)(H,54,66)(H,55,65)(H,56,67)(H,57,69)(H,58,70)(H,63,64)(H,71,72)/t35-,37-,38-,39-,40-,41-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.60	n/a	n/a	n/a	n/a
Universit£ de Montr£al Curated by ChEMBL					Assay Description Antagonist activity at UT2 receptor in Sprague-Dawley rat thoracic aorta ring assessed as pEC50 for hU2-induced aortic contractions at 10'-5M relativ...				J Med Chem 59: 4740-52 (2016) BindingDB Entry DOI: 10.7270/Q2SB47Q1
					More data for this Ligand-Target Pair