BDBM50039010 (S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-propionylamino]-4-methyl-pentanoic acid ((1S,2R)-1-cyclohexylmethyl-2-hydroxy-2-thiazol-2-yl-ethyl)-amide::CHEMBL308232

SMILES: CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1

InChI Key: InChIKey=YVAMEIZCNLFMMR-KJNQLLBQSA-N

Data: 1 KI  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 5 hits for monomerid = 50039010   

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))	BDBM50039010 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C32H49N7O4S/c1-21(2)18-25(29(42)38-24(19-22-10-5-3-6-11-22)28(41)31-35-16-17-44-31)39-30(43)26(20-23-12-7-4-8-13-23)37-27(40)14-9-15-36-32(33)34/h4,7-8,12-13,16-17,21-22,24-26,28,41H,3,5-6,9-11,14-15,18-20H2,1-2H3,(H,37,40)(H,38,42)(H,39,43)(H4,33,34,36)/t24-,25-,26-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	22	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description Binding affinity for thrombin was reported				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039010 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C32H49N7O4S/c1-21(2)18-25(29(42)38-24(19-22-10-5-3-6-11-22)28(41)31-35-16-17-44-31)39-30(43)26(20-23-12-7-4-8-13-23)37-27(40)14-9-15-36-32(33)34/h4,7-8,12-13,16-17,21-22,24-26,28,41H,3,5-6,9-11,14-15,18-20H2,1-2H3,(H,37,40)(H,38,42)(H,39,43)(H4,33,34,36)/t24-,25-,26-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	120	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against thrombin was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50039010 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C32H49N7O4S/c1-21(2)18-25(29(42)38-24(19-22-10-5-3-6-11-22)28(41)31-35-16-17-44-31)39-30(43)26(20-23-12-7-4-8-13-23)37-27(40)14-9-15-36-32(33)34/h4,7-8,12-13,16-17,21-22,24-26,28,41H,3,5-6,9-11,14-15,18-20H2,1-2H3,(H,37,40)(H,38,42)(H,39,43)(H4,33,34,36)/t24-,25-,26-,28+/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	6.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against Factor Xa was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50039010 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C32H49N7O4S/c1-21(2)18-25(29(42)38-24(19-22-10-5-3-6-11-22)28(41)31-35-16-17-44-31)39-30(43)26(20-23-12-7-4-8-13-23)37-27(40)14-9-15-36-32(33)34/h4,7-8,12-13,16-17,21-22,24-26,28,41H,3,5-6,9-11,14-15,18-20H2,1-2H3,(H,37,40)(H,38,42)(H,39,43)(H4,33,34,36)/t24-,25-,26-,28+/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.50E+3	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against trypsin was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50039010 ((S)-2-[(S)-2-(4-Guanidino-butyrylamino)-3-phenyl-p...) Show SMILES CC(C)C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CCCNC(N)=N)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)c1nccs1 Show InChI InChI=1S/C32H49N7O4S/c1-21(2)18-25(29(42)38-24(19-22-10-5-3-6-11-22)28(41)31-35-16-17-44-31)39-30(43)26(20-23-12-7-4-8-13-23)37-27(40)14-9-15-36-32(33)34/h4,7-8,12-13,16-17,21-22,24-26,28,41H,3,5-6,9-11,14-15,18-20H2,1-2H3,(H,37,40)(H,38,42)(H,39,43)(H4,33,34,36)/t24-,25-,26-,28+/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	1.43E+5	n/a	n/a	n/a	n/a	n/a	n/a
Bristol-Myers Squibb Pharmaceutical Research Institute Curated by ChEMBL					Assay Description In vitro activity against plasmin was determined				J Med Chem 37: 2122-4 (1994) BindingDB Entry DOI: 10.7270/Q2FQ9VPM
					More data for this Ligand-Target Pair