BDBM50054870 1H-Indole-2-carboxylic acid [1-[1-[1-(1-carbamoyl-4-guanidino-butylcarbamoyl)-3-methyl-butylcarbamoyl]-2-(4-guanidino-phenyl)-ethylcarbamoyl]-2-(4-fluoro-phenyl)-ethyl]-amide::CHEMBL407822

SMILES: CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CCCNC(N)=N)C(N)=O

InChI Key: InChIKey=XESZVWNPVSBIQE-UHFFFAOYSA-N

Data: 1 IC50  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 = 50054870   

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
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50054870 (1H-Indole-2-carboxylic acid [1-[1-[1-(1-carbamoyl-...) Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CCCNC(N)=N)C(N)=O |(8.25,-8.7,;9.02,-7.37,;8.25,-6.04,;10.56,-7.37,;11.33,-8.7,;12.87,-8.7,;13.66,-7.37,;12.87,-6.04,;15.2,-7.37,;15.97,-6.04,;17.53,-6.04,;18.3,-7.37,;19.84,-7.37,;20.61,-6.04,;19.84,-4.69,;18.3,-4.69,;22.15,-6.04,;22.92,-7.37,;24.46,-7.37,;22.15,-8.7,;15.97,-8.7,;15.2,-10.04,;13.66,-10.04,;15.97,-11.39,;17.53,-11.39,;18.84,-12.3,;18.84,-13.84,;20.17,-14.61,;21.52,-13.84,;22.84,-14.61,;21.52,-12.3,;20.17,-11.53,;15.2,-12.72,;15.97,-14.06,;17.53,-14.06,;15.2,-15.4,;15.82,-16.78,;14.69,-17.84,;14.69,-19.38,;13.35,-20.15,;12,-19.38,;12,-17.84,;13.35,-17.07,;13.66,-15.56,;10.56,-10.04,;11.33,-11.39,;9.02,-10.04,;8.25,-11.39,;6.71,-11.39,;5.94,-10.04,;4.39,-10.04,;3.63,-8.7,;2.08,-8.7,;1.31,-10.04,;1.31,-7.37,;9.02,-12.72,;10.56,-12.72,;8.25,-14.06,)| Show InChI InChI=1S/C40H51FN12O5/c1-22(2)18-30(35(55)50-29(34(42)54)8-5-17-47-39(43)44)51-36(56)32(20-24-11-15-27(16-12-24)48-40(45)46)52-37(57)31(19-23-9-13-26(41)14-10-23)53-38(58)33-21-25-6-3-4-7-28(25)49-33/h3-4,6-7,9-16,21-22,29-32,49H,5,8,17-20H2,1-2H3,(H2,42,54)(H,50,55)(H,51,56)(H,52,57)(H,53,58)(H4,43,44,47)(H4,45,46,48)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	24	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Antagonistic activity against tritiated agonist (SFFLRR-NH2, at 25 nM) binding to human platelet membranes measured by the GTPase assay				J Med Chem 39: 4879-87 (1997) Article DOI: 10.1021/jm960455s BindingDB Entry DOI: 10.7270/Q26W9BRV
					More data for this Ligand-Target Pair
Proteinase-activated receptor 1 (Homo sapiens (Human))	BDBM50054870 (1H-Indole-2-carboxylic acid [1-[1-[1-(1-carbamoyl-...) Show SMILES CC(C)CC(NC(=O)C(Cc1ccc(cc1)N=C(N)N)NC(=O)C(Cc1ccc(F)cc1)NC(=O)c1cc2ccccc2[nH]1)C(=O)NC(CCCNC(N)=N)C(N)=O |(8.25,-8.7,;9.02,-7.37,;8.25,-6.04,;10.56,-7.37,;11.33,-8.7,;12.87,-8.7,;13.66,-7.37,;12.87,-6.04,;15.2,-7.37,;15.97,-6.04,;17.53,-6.04,;18.3,-7.37,;19.84,-7.37,;20.61,-6.04,;19.84,-4.69,;18.3,-4.69,;22.15,-6.04,;22.92,-7.37,;24.46,-7.37,;22.15,-8.7,;15.97,-8.7,;15.2,-10.04,;13.66,-10.04,;15.97,-11.39,;17.53,-11.39,;18.84,-12.3,;18.84,-13.84,;20.17,-14.61,;21.52,-13.84,;22.84,-14.61,;21.52,-12.3,;20.17,-11.53,;15.2,-12.72,;15.97,-14.06,;17.53,-14.06,;15.2,-15.4,;15.82,-16.78,;14.69,-17.84,;14.69,-19.38,;13.35,-20.15,;12,-19.38,;12,-17.84,;13.35,-17.07,;13.66,-15.56,;10.56,-10.04,;11.33,-11.39,;9.02,-10.04,;8.25,-11.39,;6.71,-11.39,;5.94,-10.04,;4.39,-10.04,;3.63,-8.7,;2.08,-8.7,;1.31,-10.04,;1.31,-7.37,;9.02,-12.72,;10.56,-12.72,;8.25,-14.06,)| Show InChI InChI=1S/C40H51FN12O5/c1-22(2)18-30(35(55)50-29(34(42)54)8-5-17-47-39(43)44)51-36(56)32(20-24-11-15-27(16-12-24)48-40(45)46)52-37(57)31(19-23-9-13-26(41)14-10-23)53-38(58)33-21-25-6-3-4-7-28(25)49-33/h3-4,6-7,9-16,21-22,29-32,49H,5,8,17-20H2,1-2H3,(H2,42,54)(H,50,55)(H,51,56)(H,52,57)(H,53,58)(H4,43,44,47)(H4,45,46,48)	PDB KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	n/a	n/a	1.80E+3	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Effective concentration for stimulation of platelet aggregation				J Med Chem 39: 4879-87 (1997) Article DOI: 10.1021/jm960455s BindingDB Entry DOI: 10.7270/Q26W9BRV
					More data for this Ligand-Target Pair