BDBM50331667 CHEMBL1290074::N-((R)-2-((S)-1-((2-allyl-5-chloro-1H-indol-3-yl)methylamino)-4-methyl-1-oxopentan-2-ylamino)-1-cyclohexyl-2-oxoethyl)pent-4-enamide

SMILES: CC(C)C[C@H](NC(=O)[C@H](NC(=O)CCC=C)C1CCCCC1)C(=O)NCc1c(CC=C)[nH]c2ccc(Cl)cc12

InChI Key: InChIKey=DULADXSFGCQPEO-LMSSTIIKSA-N

Data: 2 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 2 hits for monomerid = 50331667   

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
Coagulation factor XI (Homo sapiens (Human))	BDBM50331667 (CHEMBL1290074 | N-((R)-2-((S)-1-((2-allyl-5-chloro...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](NC(=O)CCC=C)C1CCCCC1)C(=O)NCc1c(CC=C)[nH]c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C31H43ClN4O3/c1-5-7-14-28(37)36-29(21-12-9-8-10-13-21)31(39)35-27(17-20(3)4)30(38)33-19-24-23-18-22(32)15-16-26(23)34-25(24)11-6-2/h5-6,15-16,18,20-21,27,29,34H,1-2,7-14,17,19H2,3-4H3,(H,33,38)(H,35,39)(H,36,37)/t27-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.03E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of factor 11a				Bioorg Med Chem Lett 20: 6925-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.141 BindingDB Entry DOI: 10.7270/Q237790B
					More data for this Ligand-Target Pair
Vitamin K-dependent protein C (Homo sapiens (Human))	BDBM50331667 (CHEMBL1290074 | N-((R)-2-((S)-1-((2-allyl-5-chloro...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](NC(=O)CCC=C)C1CCCCC1)C(=O)NCc1c(CC=C)[nH]c2ccc(Cl)cc12 |r| Show InChI InChI=1S/C31H43ClN4O3/c1-5-7-14-28(37)36-29(21-12-9-8-10-13-21)31(39)35-27(17-20(3)4)30(38)33-19-24-23-18-22(32)15-16-26(23)34-25(24)11-6-2/h5-6,15-16,18,20-21,27,29,34H,1-2,7-14,17,19H2,3-4H3,(H,33,38)(H,35,39)(H,36,37)/t27-,29+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	2.84E+5	n/a	n/a	n/a	n/a	n/a	n/a
Université de Montréal Curated by ChEMBL					Assay Description Inhibition of activated protein C				Bioorg Med Chem Lett 20: 6925-8 (2010) Article DOI: 10.1016/j.bmcl.2010.09.141 BindingDB Entry DOI: 10.7270/Q237790B
					More data for this Ligand-Target Pair