BDBM50320471 (4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)-19-acetamido-10-(4-aminobutyl)-16-benzyl-7-(naphthalen-1-ylmethyl)-6,9,12,15,18-pentaoxo-1,2-dithia-5,8,11,14,17-pentaazacycloicosane-4-carboxamide::CHEMBL1165796

SMILES: CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O

InChI Key: InChIKey=OGDNVDJQKDLFQU-SKGSPYGFSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50320471   

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)	BDBM50320471 ((4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)...) Show SMILES CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C47H55N9O7S2/c1-28(57)51-41-27-65-64-26-40(42(49)58)56-46(62)38(23-31-16-11-15-30-14-5-6-17-33(30)31)54-43(59)36(20-9-10-21-48)52-45(61)39(24-32-25-50-35-19-8-7-18-34(32)35)55-44(60)37(53-47(41)63)22-29-12-3-2-4-13-29/h2-8,11-19,25,36-41,50H,9-10,20-24,26-27,48H2,1H3,(H2,49,58)(H,51,57)(H,52,61)(H,53,63)(H,54,59)(H,55,60)(H,56,62)/t36-,37-,38-,39-,40-,41-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	4.10	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Displacement of [125I]U2 from rat urotensin 2 receptor expressed in CHO cells				J Med Chem 53: 2695-708 (2010) Article DOI: 10.1021/jm901294u BindingDB Entry DOI: 10.7270/Q20G3K9N
					More data for this Ligand-Target Pair
UTS2R (RAT)	BDBM50320471 ((4R,7S,10S,13S,16S,19R)-13-((1H-indol-3-yl)methyl)...) Show SMILES CC(=O)N[C@H]1CSSC[C@H](NC(=O)[C@H](Cc2cccc3ccccc23)NC(=O)[C@H](CCCCN)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](Cc2ccccc2)NC1=O)C(N)=O |r| Show InChI InChI=1S/C47H55N9O7S2/c1-28(57)51-41-27-65-64-26-40(42(49)58)56-46(62)38(23-31-16-11-15-30-14-5-6-17-33(30)31)54-43(59)36(20-9-10-21-48)52-45(61)39(24-32-25-50-35-19-8-7-18-34(32)35)55-44(60)37(53-47(41)63)22-29-12-3-2-4-13-29/h2-8,11-19,25,36-41,50H,9-10,20-24,26-27,48H2,1H3,(H2,49,58)(H,51,57)(H,52,61)(H,53,63)(H,54,59)(H,55,60)(H,56,62)/t36-,37-,38-,39-,40-,41-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.5	n/a	n/a	n/a	n/a
Johnson& Johnson Pharmaceutical Research& Development Curated by ChEMBL					Assay Description Agonist activity at rat urotensin 2 receptor expressed in CHO cells assessed as calcium mobilization by FLIPR				J Med Chem 53: 2695-708 (2010) Article DOI: 10.1021/jm901294u BindingDB Entry DOI: 10.7270/Q20G3K9N
					More data for this Ligand-Target Pair