BDBM50032190 (S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propionylamino)-4-methyl-pentanoylamino]-N-((S)-1-{(1S,2S)-1-[(S)-1-carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-cyclohexyl-ethyl)-succinamic acid::CHEMBL263295

SMILES: CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O

InChI Key: InChIKey=JIWCCEBFSJAHKC-UJGVUKHOSA-N

Data: 3 IC50

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 = 50032190   

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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50032190 ((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H69N7O10/c1-6-32(4)46(51(67)59-43(53(69)70)28-37-30-54-39-25-17-16-24-38(37)39)60-50(66)41(27-34-18-10-7-11-19-34)56-49(65)42(29-44(62)63)57-48(64)40(26-31(2)3)58-52(68)47(55-33(5)61)45(35-20-12-8-13-21-35)36-22-14-9-15-23-36/h8-9,12-17,20-25,30-32,34,40-43,45-47,54H,6-7,10-11,18-19,26-29H2,1-5H3,(H,55,61)(H,56,65)(H,57,64)(H,58,68)(H,59,67)(H,60,66)(H,62,63)(H,69,70)/t32-,40-,41-,42-,43-,46-,47-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	650	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against endothelin A receptor from rabbit renal vascular smooth muscles				J Med Chem 38: 2809-19 (1995) BindingDB Entry DOI: 10.7270/Q2KD1WZQ
					More data for this Ligand-Target Pair
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50032190 ((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H69N7O10/c1-6-32(4)46(51(67)59-43(53(69)70)28-37-30-54-39-25-17-16-24-38(37)39)60-50(66)41(27-34-18-10-7-11-19-34)56-49(65)42(29-44(62)63)57-48(64)40(26-31(2)3)58-52(68)47(55-33(5)61)45(35-20-12-8-13-21-35)36-22-14-9-15-23-36/h8-9,12-17,20-25,30-32,34,40-43,45-47,54H,6-7,10-11,18-19,26-29H2,1-5H3,(H,55,61)(H,56,65)(H,57,64)(H,58,68)(H,59,67)(H,60,66)(H,62,63)(H,69,70)/t32-,40-,41-,42-,43-,46-,47-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	200	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Inhibition of ET-1 stimulated arachidonic acid release in rabbit renal vascular smooth muscle cells				J Med Chem 38: 2809-19 (1995) BindingDB Entry DOI: 10.7270/Q2KD1WZQ
					More data for this Ligand-Target Pair
EDNRB (RAT)	BDBM50032190 ((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(C)=O)C(c1ccccc1)c1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C53H69N7O10/c1-6-32(4)46(51(67)59-43(53(69)70)28-37-30-54-39-25-17-16-24-38(37)39)60-50(66)41(27-34-18-10-7-11-19-34)56-49(65)42(29-44(62)63)57-48(64)40(26-31(2)3)58-52(68)47(55-33(5)61)45(35-20-12-8-13-21-35)36-22-14-9-15-23-36/h8-9,12-17,20-25,30-32,34,40-43,45-47,54H,6-7,10-11,18-19,26-29H2,1-5H3,(H,55,61)(H,56,65)(H,57,64)(H,58,68)(H,59,67)(H,60,66)(H,62,63)(H,69,70)/t32-,40-,41-,42-,43-,46-,47-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	210	n/a	n/a	n/a	n/a	n/a	n/a
Warner-Lambert Company Curated by ChEMBL					Assay Description Binding affinity against endothelin B receptor rat cerebellar membranes.				J Med Chem 38: 2809-19 (1995) BindingDB Entry DOI: 10.7270/Q2KD1WZQ
					More data for this Ligand-Target Pair