BDBM50032178 (S)-N-((1S,2S)-1-{(1S,2S)-1-[(S)-1-Carboxy-2-(1H-indol-3-yl)-ethylcarbamoyl]-2-methyl-butylcarbamoyl}-2-methyl-butyl)-3-{(S)-4-methyl-2-[(S)-2-(3-methyl-ureido)-3,3-diphenyl-propionylamino]-pentanoylamino}-succinamic acid::CHEMBL433406

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

InChI Key: InChIKey=PIENNYPWHMRMAZ-MVMSJIHBSA-N

Data: 4 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 4 hits for monomerid = 50032178   

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
EDNRB (RAT)	BDBM50032178 ((S)-N-((1S,2S)-1-{(1S,2S)-1-[(S)-1-Carboxy-2-(1H-i...) 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(=O)NC)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C50H66N8O10/c1-8-29(5)41(46(63)55-38(49(66)67)25-33-27-52-35-23-17-16-22-34(33)35)57-47(64)42(30(6)9-2)56-45(62)37(26-39(59)60)53-44(61)36(24-28(3)4)54-48(65)43(58-50(68)51-7)40(31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-23,27-30,36-38,40-43,52H,8-9,24-26H2,1-7H3,(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)(H2,51,58,68)/t29-,30-,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	140	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
EDNRB (RAT)	BDBM50032178 ((S)-N-((1S,2S)-1-{(1S,2S)-1-[(S)-1-Carboxy-2-(1H-i...) 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(=O)NC)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C50H66N8O10/c1-8-29(5)41(46(63)55-38(49(66)67)25-33-27-52-35-23-17-16-22-34(33)35)57-47(64)42(30(6)9-2)56-45(62)37(26-39(59)60)53-44(61)36(24-28(3)4)54-48(65)43(58-50(68)51-7)40(31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-23,27-30,36-38,40-43,52H,8-9,24-26H2,1-7H3,(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)(H2,51,58,68)/t29-,30-,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	20	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 CHO cells expressing rat ET- B receptors				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))	BDBM50032178 ((S)-N-((1S,2S)-1-{(1S,2S)-1-[(S)-1-Carboxy-2-(1H-i...) 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(=O)NC)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C50H66N8O10/c1-8-29(5)41(46(63)55-38(49(66)67)25-33-27-52-35-23-17-16-22-34(33)35)57-47(64)42(30(6)9-2)56-45(62)37(26-39(59)60)53-44(61)36(24-28(3)4)54-48(65)43(58-50(68)51-7)40(31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-23,27-30,36-38,40-43,52H,8-9,24-26H2,1-7H3,(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)(H2,51,58,68)/t29-,30-,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	850	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))	BDBM50032178 ((S)-N-((1S,2S)-1-{(1S,2S)-1-[(S)-1-Carboxy-2-(1H-i...) 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(=O)NC)C(c1ccccc1)c1ccccc1)[C@@H](C)CC)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O Show InChI InChI=1S/C50H66N8O10/c1-8-29(5)41(46(63)55-38(49(66)67)25-33-27-52-35-23-17-16-22-34(33)35)57-47(64)42(30(6)9-2)56-45(62)37(26-39(59)60)53-44(61)36(24-28(3)4)54-48(65)43(58-50(68)51-7)40(31-18-12-10-13-19-31)32-20-14-11-15-21-32/h10-23,27-30,36-38,40-43,52H,8-9,24-26H2,1-7H3,(H,53,61)(H,54,65)(H,55,63)(H,56,62)(H,57,64)(H,59,60)(H,66,67)(H2,51,58,68)/t29-,30-,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	280	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