BDBM50472459 CHEMBL348255

SMILES: [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(=O)N1CCN(CC1)S(C)(=O)=O

InChI Key: InChIKey=OBICCCFHLMVXDQ-MHZLTWQESA-N

Data: 3 KI

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 3 hits for monomerid = 50472459   

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
Thrombin (Bos taurus (Bovine))	BDBM50472459 (CHEMBL348255) Show SMILES [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)/t27-/m0/s1	PDB UniProtKB/SwissProt GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	280	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description Binding affinity towards thrombin				J Med Chem 42: 458-77 (1999) Article DOI: 10.1021/jm981062r BindingDB Entry DOI: 10.7270/Q21Z474S
					More data for this Ligand-Target Pair
Coagulation factor X (Homo sapiens (Human))	BDBM50472459 (CHEMBL348255) Show SMILES [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)/t27-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description Binding affinity towards Coagulation factor Xa				J Med Chem 42: 458-77 (1999) Article DOI: 10.1021/jm981062r BindingDB Entry DOI: 10.7270/Q21Z474S
					More data for this Ligand-Target Pair
Trypsin I (Bos taurus (bovine))	BDBM50472459 (CHEMBL348255) Show SMILES [H][C@@](Cc1cccc(c1)C(N)=N)(NS(=O)(=O)c1c(cc(cc1C(C)C)C(C)C)C(C)C)C(=O)N1CCN(CC1)S(C)(=O)=O Show InChI InChI=1S/C30H45N5O5S2/c1-19(2)24-17-25(20(3)4)28(26(18-24)21(5)6)42(39,40)33-27(16-22-9-8-10-23(15-22)29(31)32)30(36)34-11-13-35(14-12-34)41(7,37)38/h8-10,15,17-21,27,33H,11-14,16H2,1-7H3,(H3,31,32)/t27-/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	1.00E+14	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Marburg Curated by ChEMBL					Assay Description Binding affinity towards trypsin				J Med Chem 42: 458-77 (1999) Article DOI: 10.1021/jm981062r BindingDB Entry DOI: 10.7270/Q21Z474S
					More data for this Ligand-Target Pair