BDBM50114263 ((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethyl)-carbamoyl]-2,5-dihydro-pyrrol-1-yl}-1-cyclohexylmethyl-2-oxo-ethylamino)-acetic acid; compound with ditrifluoro-acetic acid::CHEMBL208140

SMILES: NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1

InChI Key: InChIKey=BUGKCANFLDYYKD-SJORKVTESA-N

Data: 6 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 6 hits for monomerid = 50114263   

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))	BDBM50114263 (((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	3.60	n/a	n/a	n/a	n/a	n/a	n/a
BASF AG Curated by ChEMBL					Assay Description In vitro Inhibitory concentration against Thrombin				Bioorg Med Chem Lett 12: 1571-3 (2002) BindingDB Entry DOI: 10.7270/Q26D5TH5
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50114263 (((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	328	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of F10a				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50114263 (((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	0.980	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Tissue-type plasminogen activator (Homo sapiens (Human))	BDBM50114263 (((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	70	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of tPA				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50114263 (((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of thrombin by chromogenic assay				Bioorg Med Chem Lett 16: 2648-53 (2006) Article DOI: 10.1016/j.bmcl.2006.01.046 BindingDB Entry DOI: 10.7270/Q2GM883V
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50114263 (((R)-2-{(S)-2-[(5-Carbamimidoyl-thiophen-2-ylmethy...) Show SMILES NC(=N)c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)NCC(O)=O)s1 |c:12| Show InChI InChI=1S/C22H31N5O4S/c23-20(24)18-9-8-15(32-18)12-26-21(30)17-7-4-10-27(17)22(31)16(25-13-19(28)29)11-14-5-2-1-3-6-14/h4,7-9,14,16-17,25H,1-3,5-6,10-13H2,(H3,23,24)(H,26,30)(H,28,29)/t16-,17+/m1/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.24E+3	n/a	n/a	n/a	n/a	n/a	n/a
Abbott GmbH& Co. KG Curated by ChEMBL					Assay Description Inhibition of plasmin				Bioorg Med Chem Lett 16: 2641-7 (2006) Article DOI: 10.1016/j.bmcl.2006.02.040 BindingDB Entry DOI: 10.7270/Q2MC90T5
					More data for this Ligand-Target Pair