BDBM50287479 (S)-1-((R)-2-Acetylamino-3-cyclohexyl-propionyl)-pyrrolidine-2-carboxylic acid ((S)-4-guanidino-1-phenylacetyl-butyl)-amide::CHEMBL47824

SMILES: CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Cc1ccccc1

InChI Key: InChIKey=LQCZMCRHJAOKLB-GVAUOCQISA-N

Data: 1 KI  1 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 = 50287479   

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
Prothrombin (Homo sapiens (Human))	BDBM50287479 ((S)-1-((R)-2-Acetylamino-3-cyclohexyl-propionyl)-p...) Show SMILES CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Cc1ccccc1 Show InChI InChI=1S/C29H44N6O4/c1-20(36)33-24(18-21-10-4-2-5-11-21)28(39)35-17-9-15-25(35)27(38)34-23(14-8-16-32-29(30)31)26(37)19-22-12-6-3-7-13-22/h3,6-7,12-13,21,23-25H,2,4-5,8-11,14-19H2,1H3,(H,33,36)(H,34,38)(H4,30,31,32)/t23-,24+,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	185	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of alpha-human thrombin by clotting test				Bioorg Med Chem Lett 6: 1677-1682 (1996) Article DOI: 10.1016/0960-894X(96)00291-0 BindingDB Entry DOI: 10.7270/Q2CF9Q2H
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50287479 ((S)-1-((R)-2-Acetylamino-3-cyclohexyl-propionyl)-p...) Show SMILES CC(=O)N[C@H](CC1CCCCC1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(N)=N)C(=O)Cc1ccccc1 Show InChI InChI=1S/C29H44N6O4/c1-20(36)33-24(18-21-10-4-2-5-11-21)28(39)35-17-9-15-25(35)27(38)34-23(14-8-16-32-29(30)31)26(37)19-22-12-6-3-7-13-22/h3,6-7,12-13,21,23-25H,2,4-5,8-11,14-19H2,1H3,(H,33,36)(H,34,38)(H4,30,31,32)/t23-,24+,25-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	630	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description Compound was measured for the inhibition of alpha-human thrombin by amidolytic assay				Bioorg Med Chem Lett 6: 1677-1682 (1996) Article DOI: 10.1016/0960-894X(96)00291-0 BindingDB Entry DOI: 10.7270/Q2CF9Q2H
					More data for this Ligand-Target Pair