BDBM50185137 CHEMBL3823569

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

InChI Key: InChIKey=ULPKZZLVQGONPS-WSTIWDDCSA-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 = 50185137   

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))	BDBM50185137 (CHEMBL3823569) 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)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C48H63N11O13S3/c1-27(2)41(48(69)70)56-46(67)39-26-74-73-25-38(54-42(63)33(50)23-40(61)62)45(66)52-35(20-28-10-4-3-5-11-28)43(64)53-36(22-30-24-51-34-13-7-6-12-32(30)34)47(68)57-59(19-9-8-18-49)75(71,72)58-37(44(65)55-39)21-29-14-16-31(60)17-15-29/h3-7,10-17,24,27,33,35-39,41,51,58,60H,8-9,18-23,25-26,49-50H2,1-2H3,(H,52,66)(H,53,64)(H,54,63)(H,55,65)(H,56,67)(H,57,68)(H,61,62)(H,69,70)/t33-,35-,36-,37-,38-,39-,41-/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)	BDBM50185137 (CHEMBL3823569) 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)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C48H63N11O13S3/c1-27(2)41(48(69)70)56-46(67)39-26-74-73-25-38(54-42(63)33(50)23-40(61)62)45(66)52-35(20-28-10-4-3-5-11-28)43(64)53-36(22-30-24-51-34-13-7-6-12-32(30)34)47(68)57-59(19-9-8-18-49)75(71,72)58-37(44(65)55-39)21-29-14-16-31(60)17-15-29/h3-7,10-17,24,27,33,35-39,41,51,58,60H,8-9,18-23,25-26,49-50H2,1-2H3,(H,52,66)(H,53,64)(H,54,63)(H,55,65)(H,56,67)(H,57,68)(H,61,62)(H,69,70)/t33-,35-,36-,37-,38-,39-,41-/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	2.60	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
UTS2R (RAT)	BDBM50185137 (CHEMBL3823569) 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)S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(O)=O |r| Show InChI InChI=1S/C48H63N11O13S3/c1-27(2)41(48(69)70)56-46(67)39-26-74-73-25-38(54-42(63)33(50)23-40(61)62)45(66)52-35(20-28-10-4-3-5-11-28)43(64)53-36(22-30-24-51-34-13-7-6-12-32(30)34)47(68)57-59(19-9-8-18-49)75(71,72)58-37(44(65)55-39)21-29-14-16-31(60)17-15-29/h3-7,10-17,24,27,33,35-39,41,51,58,60H,8-9,18-23,25-26,49-50H2,1-2H3,(H,52,66)(H,53,64)(H,54,63)(H,55,65)(H,56,67)(H,57,68)(H,61,62)(H,69,70)/t33-,35-,36-,37-,38-,39-,41-/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	9.10	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