BDBM50517317 CHEMBL4475783

SMILES: CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[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=ACPSPBMVAMLTFE-JWNUYQQJSA-N

Data: 1 KI  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 = 50517317   

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))	BDBM50517317 (CHEMBL4475783) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[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/C65H87N13O18S2/c1-34(2)53(65(95)96)75-60(90)48-33-98-97-32-47(73-58(88)45(30-52(83)84)71-61(91)49-18-12-26-78(49)64(94)54(35(3)79)76-55(85)41(67)23-24-51(81)82)59(89)72-46(28-36-13-6-5-7-14-36)63(93)77(4)50(29-38-31-68-42-16-9-8-15-40(38)42)62(92)69-43(17-10-11-25-66)56(86)70-44(57(87)74-48)27-37-19-21-39(80)22-20-37/h5-9,13-16,19-22,31,34-35,41,43-50,53-54,68,79-80H,10-12,17-18,23-30,32-33,66-67H2,1-4H3,(H,69,92)(H,70,86)(H,71,91)(H,72,89)(H,73,88)(H,74,87)(H,75,90)(H,76,85)(H,81,82)(H,83,84)(H,95,96)/t35-,41+,43+,44+,45+,46+,47+,48+,49+,50+,53+,54+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	20	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Displacement of [125I]-URP or human [125I[-urotensin-2 from human urotensin 2 receptor expressed in HEK293 or CHOK1 cells after 2 hrs by gamma-counti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601
					More data for this Ligand-Target Pair
Urotensin II receptor (Homo sapiens (Human))	BDBM50517317 (CHEMBL4475783) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[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/C65H87N13O18S2/c1-34(2)53(65(95)96)75-60(90)48-33-98-97-32-47(73-58(88)45(30-52(83)84)71-61(91)49-18-12-26-78(49)64(94)54(35(3)79)76-55(85)41(67)23-24-51(81)82)59(89)72-46(28-36-13-6-5-7-14-36)63(93)77(4)50(29-38-31-68-42-16-9-8-15-40(38)42)62(92)69-43(17-10-11-25-66)56(86)70-44(57(87)74-48)27-37-19-21-39(80)22-20-37/h5-9,13-16,19-22,31,34-35,41,43-50,53-54,68,79-80H,10-12,17-18,23-30,32-33,66-67H2,1-4H3,(H,69,92)(H,70,86)(H,71,91)(H,72,89)(H,73,88)(H,74,87)(H,75,90)(H,76,85)(H,81,82)(H,83,84)(H,95,96)/t35-,41+,43+,44+,45+,46+,47+,48+,49+,50+,53+,54+/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	5.60	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at urotensin 2 receptor (unknown origin) expressed in HEK293 cells co-expressing Gq-polycistronic BRET biosensor assessed as inducti...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601
					More data for this Ligand-Target Pair
UTS2R (RAT)	BDBM50517317 (CHEMBL4475783) Show SMILES CC(C)[C@H](NC(=O)[C@@H]1CSSC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@@H]2CCCN2C(=O)[C@@H](NC(=O)[C@@H](N)CCC(O)=O)[C@@H](C)O)C(=O)N[C@@H](Cc2ccccc2)C(=O)N(C)[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/C65H87N13O18S2/c1-34(2)53(65(95)96)75-60(90)48-33-98-97-32-47(73-58(88)45(30-52(83)84)71-61(91)49-18-12-26-78(49)64(94)54(35(3)79)76-55(85)41(67)23-24-51(81)82)59(89)72-46(28-36-13-6-5-7-14-36)63(93)77(4)50(29-38-31-68-42-16-9-8-15-40(38)42)62(92)69-43(17-10-11-25-66)56(86)70-44(57(87)74-48)27-37-19-21-39(80)22-20-37/h5-9,13-16,19-22,31,34-35,41,43-50,53-54,68,79-80H,10-12,17-18,23-30,32-33,66-67H2,1-4H3,(H,69,92)(H,70,86)(H,71,91)(H,72,89)(H,73,88)(H,74,87)(H,75,90)(H,76,85)(H,81,82)(H,83,84)(H,95,96)/t35-,41+,43+,44+,45+,46+,47+,48+,49+,50+,53+,54+/m1/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	n/a	n/a	5.80	n/a	n/a	n/a	n/a
University of Naples "Federico II" Curated by ChEMBL					Assay Description Agonist activity at urotensin 2 receptor in Sprague-Dawley rat thoracic aortic ring assessed as induction of contraction relative to KCl-induced cont...				J Med Chem 62: 1455-1467 (2019) Article DOI: 10.1021/acs.jmedchem.8b01601
					More data for this Ligand-Target Pair