BDBM50185135 CHEMBL3823484

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)NN(Cc2cccc3ccccc23)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O

InChI Key: InChIKey=SZLHFQCWYMFRCK-PDSARRMPSA-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 = 50185135   

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))	BDBM50185135 (CHEMBL3823484) 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)NN(Cc2cccc3ccccc23)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H64N10O13S3/c1-29(2)43(50(70)71)57-48(68)41-28-75-74-27-40(55-44(64)36(52)25-42(62)63)47(67)54-39(23-30-11-4-3-5-12-30)49(69)58-60(26-33-15-10-14-32-13-6-7-16-35(32)33)76(72,73)59-37(17-8-9-22-51)45(65)53-38(46(66)56-41)24-31-18-20-34(61)21-19-31/h3-7,10-16,18-21,29,36-41,43,59,61H,8-9,17,22-28,51-52H2,1-2H3,(H,53,65)(H,54,67)(H,55,64)(H,56,66)(H,57,68)(H,58,69)(H,62,63)(H,70,71)/t36-,37-,38-,39-,40-,41-,43-/m0/s1	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents 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)	BDBM50185135 (CHEMBL3823484) 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)NN(Cc2cccc3ccccc23)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H64N10O13S3/c1-29(2)43(50(70)71)57-48(68)41-28-75-74-27-40(55-44(64)36(52)25-42(62)63)47(67)54-39(23-30-11-4-3-5-12-30)49(69)58-60(26-33-15-10-14-32-13-6-7-16-35(32)33)76(72,73)59-37(17-8-9-22-51)45(65)53-38(46(66)56-41)24-31-18-20-34(61)21-19-31/h3-7,10-16,18-21,29,36-41,43,59,61H,8-9,17,22-28,51-52H2,1-2H3,(H,53,65)(H,54,67)(H,55,64)(H,56,66)(H,57,68)(H,58,69)(H,62,63)(H,70,71)/t36-,37-,38-,39-,40-,41-,43-/m0/s1	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	5	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
UTS2R (RAT)	BDBM50185135 (CHEMBL3823484) 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)NN(Cc2cccc3ccccc23)S(=O)(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C50H64N10O13S3/c1-29(2)43(50(70)71)57-48(68)41-28-75-74-27-40(55-44(64)36(52)25-42(62)63)47(67)54-39(23-30-11-4-3-5-12-30)49(69)58-60(26-33-15-10-14-32-13-6-7-16-35(32)33)76(72,73)59-37(17-8-9-22-51)45(65)53-38(46(66)56-41)24-31-18-20-34(61)21-19-31/h3-7,10-16,18-21,29,36-41,43,59,61H,8-9,17,22-28,51-52H2,1-2H3,(H,53,65)(H,54,67)(H,55,64)(H,56,66)(H,57,68)(H,58,69)(H,62,63)(H,70,71)/t36-,37-,38-,39-,40-,41-,43-/m0/s1	Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	PubMed	n/a	n/a	n/a	n/a	7.90	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