BDBM50459268 CHEMBL4213101

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#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=LWPABDJNWSXGPM-HZWOCANUSA-N

Data: 1 IC50  4 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 5 hits for monomerid = 50459268   

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))	BDBM50459268 (CHEMBL4213101) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#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/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43-,44-,45-,46-,47-,48-,49-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	759	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Agonist activity at human UT receptor expressed in HEK293 cells co-expressing beta-arrestin1-polycistronic BRET biosensor assessed as induction of be...				J Med Chem 61: 8707-8716 (2018) Article DOI: 10.1021/acs.jmedchem.8b00789 BindingDB Entry DOI: 10.7270/Q2959M57
					More data for this Ligand-Target Pair
UTS2R (RAT)	BDBM50459268 (CHEMBL4213101) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#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/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43-,44-,45-,46-,47-,48-,49-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	32	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Agonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction				J Med Chem 61: 8707-8716 (2018) Article DOI: 10.1021/acs.jmedchem.8b00789 BindingDB Entry DOI: 10.7270/Q2959M57
					More data for this Ligand-Target Pair
Urotensin II receptor (Homo sapiens (Human))	BDBM50459268 (CHEMBL4213101) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#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/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43-,44-,45-,46-,47-,48-,49-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	148	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Agonist activity at human UT receptor expressed in HEK293 cells co-expressing G12-polycistronic BRET biosensor assessed as induction of G12 activatio...				J Med Chem 61: 8707-8716 (2018) Article DOI: 10.1021/acs.jmedchem.8b00789 BindingDB Entry DOI: 10.7270/Q2959M57
					More data for this Ligand-Target Pair
Urotensin II receptor (Homo sapiens (Human))	BDBM50459268 (CHEMBL4213101) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#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/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43-,44-,45-,46-,47-,48-,49-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	28	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Agonist activity at human UT receptor expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as induction of Gq activation ...				J Med Chem 61: 8707-8716 (2018) Article DOI: 10.1021/acs.jmedchem.8b00789 BindingDB Entry DOI: 10.7270/Q2959M57
					More data for this Ligand-Target Pair
Urotensin II receptor (Homo sapiens (Human))	BDBM50459268 (CHEMBL4213101) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](C)N)C(=O)N[C@@H](Cc2ccc(cc2)C#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/C57H68N10O10S2/c1-33(2)49(57(76)77)67-56(75)48-32-79-78-31-47(65-50(69)34(3)59)55(74)63-44(27-37-20-18-36(19-21-37)17-16-35-11-5-4-6-12-35)52(71)64-46(29-39-30-60-42-14-8-7-13-41(39)42)54(73)61-43(15-9-10-26-58)51(70)62-45(53(72)66-48)28-38-22-24-40(68)25-23-38/h4-8,11-14,18-25,30,33-34,43-49,60,68H,9-10,15,26-29,31-32,58-59H2,1-3H3,(H,61,73)(H,62,70)(H,63,74)(H,64,71)(H,65,69)(H,66,72)(H,67,75)(H,76,77)/t34-,43-,44-,45-,46-,47-,48-,49-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	KEGG PC cid PC sid UniChem	Article PubMed	n/a	n/a	27	n/a	n/a	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Displacement of [Na125I]-synthetic URP from human UT receptor expressed in HEK293 cell membranes incubated for 2 hrs by gamma-counting				J Med Chem 61: 8707-8716 (2018) Article DOI: 10.1021/acs.jmedchem.8b00789 BindingDB Entry DOI: 10.7270/Q2959M57
					More data for this Ligand-Target Pair