BDBM50459262 CHEMBL4213538

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](Cc2ccc(I)cc2)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=FAZKACLBWZFQSM-RWKAWOQZSA-N

Data: 1 IC50  6 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 7 hits for monomerid = 50459262   

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)	BDBM50459262 (CHEMBL4213538) 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](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	12	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in URP-induced contraction by measuring pEC50 for...				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))	BDBM50459262 (CHEMBL4213538) 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](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	<1.00E+3	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
Urotensin II receptor (Homo sapiens (Human))	BDBM50459262 (CHEMBL4213538) 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](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	123	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
UTS2R (RAT)	BDBM50459262 (CHEMBL4213538) 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](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	<1.00E+4	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))	BDBM50459262 (CHEMBL4213538) 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](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	47	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
UTS2R (RAT)	BDBM50459262 (CHEMBL4213538) 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](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	1.10	n/a	n/a	n/a	n/a
Universit£ du Qu£bec Curated by ChEMBL					Assay Description Antagonist activity at UT receptor in Sprague-Dawley rat thoracic aortic ring assessed as reduction in urotensin-2-induced contraction by measuring p...				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))	BDBM50459262 (CHEMBL4213538) 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](Cc2ccc(I)cc2)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/C50H63IN10O12S2/c1-26(2)42(50(72)73)61-49(71)40-25-75-74-24-39(59-43(65)33(53)22-41(63)64)48(70)57-36(19-27-10-14-30(51)15-11-27)45(67)58-38(21-29-23-54-34-8-4-3-7-32(29)34)47(69)55-35(9-5-6-18-52)44(66)56-37(46(68)60-40)20-28-12-16-31(62)17-13-28/h3-4,7-8,10-17,23,26,33,35-40,42,54,62H,5-6,9,18-22,24-25,52-53H2,1-2H3,(H,55,69)(H,56,66)(H,57,70)(H,58,67)(H,59,65)(H,60,68)(H,61,71)(H,63,64)(H,72,73)/t33-,35+,36+,37+,38+,39+,40+,42+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	347	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