BDBM50032207 (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-methyl-propyl)-succinamic acid::CHEMBL319660

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

InChI Key: InChIKey=DRQGVADKIBRYTL-KNTSQTEZSA-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 = 50032207   

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))	BDBM50032207 ((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](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(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-46(62)41(28(4)5)55-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,63)(H,55,61)(H,56,62)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	17	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
EDNRB (RAT)	BDBM50032207 ((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](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(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-46(62)41(28(4)5)55-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,63)(H,55,61)(H,56,62)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43-/m0/s1	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	51	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
Endothelin-1 receptor (Homo sapiens (Human))	BDBM50032207 ((S)-3-[(S)-2-((S)-2-Acetylamino-3,3-diphenyl-propi...) Show SMILES CC[C@H](C)[C@H](NC(=O)[C@@H](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(C)C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C49H63N7O10/c1-8-29(6)42(47(63)54-38(49(65)66)24-33-26-50-35-22-16-15-21-34(33)35)56-46(62)41(28(4)5)55-45(61)37(25-39(58)59)52-44(60)36(23-27(2)3)53-48(64)43(51-30(7)57)40(31-17-11-9-12-18-31)32-19-13-10-14-20-32/h9-22,26-29,36-38,40-43,50H,8,23-25H2,1-7H3,(H,51,57)(H,52,60)(H,53,64)(H,54,63)(H,55,61)(H,56,62)(H,58,59)(H,65,66)/t29-,36-,37-,38-,41-,42-,43-/m0/s1	UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	29	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