BDBM50090238 3,3-Dimethyl-6-{3-[4-(2-morpholin-4-yl-2-oxo-ethyl)-piperazin-1-yl]-3-oxo-propyl}-1,2,3,4-tetrahydro-quinoline-8-sulfonic acid {(S)-1-benzothiazol-2-ylmethyl-2-[4-(2-fluoro-ethyl)-piperidin-1-yl]-2-oxo-ethyl}-amide::CHEMBL263806

SMILES: CC1(C)CNc2c(C1)cc(CCC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1

InChI Key: InChIKey=NGSSXFJBDKWOIB-XIFFEERXSA-N

Data: 4 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 4 hits for monomerid = 50090238   

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))	BDBM50090238 (3,3-Dimethyl-6-{3-[4-(2-morpholin-4-yl-2-oxo-ethyl...) Show SMILES CC1(C)CNc2c(C1)cc(CCC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C41H56FN7O6S2/c1-41(2)26-31-23-30(7-8-37(50)47-17-15-46(16-18-47)27-38(51)48-19-21-55-22-20-48)24-35(39(31)43-28-41)57(53,54)45-33(25-36-44-32-5-3-4-6-34(32)56-36)40(52)49-13-10-29(9-12-42)11-14-49/h3-6,23-24,29,33,43,45H,7-22,25-28H2,1-2H3/t33-/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	57	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Evaluated for the binding affinity against thrombin				Bioorg Med Chem Lett 10: 1567-70 (2000) BindingDB Entry DOI: 10.7270/Q2RX9BBS
					More data for this Ligand-Target Pair
Chymotrypsin (Homo sapiens (Human))	BDBM50090238 (3,3-Dimethyl-6-{3-[4-(2-morpholin-4-yl-2-oxo-ethyl...) Show SMILES CC1(C)CNc2c(C1)cc(CCC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C41H56FN7O6S2/c1-41(2)26-31-23-30(7-8-37(50)47-17-15-46(16-18-47)27-38(51)48-19-21-55-22-20-48)24-35(39(31)43-28-41)57(53,54)45-33(25-36-44-32-5-3-4-6-34(32)56-36)40(52)49-13-10-29(9-12-42)11-14-49/h3-6,23-24,29,33,43,45H,7-22,25-28H2,1-2H3/t33-/m0/s1	PDB KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.22E+4	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against Serine protease chymotrypsin				Bioorg Med Chem Lett 10: 1567-70 (2000) BindingDB Entry DOI: 10.7270/Q2RX9BBS
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50090238 (3,3-Dimethyl-6-{3-[4-(2-morpholin-4-yl-2-oxo-ethyl...) Show SMILES CC1(C)CNc2c(C1)cc(CCC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C41H56FN7O6S2/c1-41(2)26-31-23-30(7-8-37(50)47-17-15-46(16-18-47)27-38(51)48-19-21-55-22-20-48)24-35(39(31)43-28-41)57(53,54)45-33(25-36-44-32-5-3-4-6-34(32)56-36)40(52)49-13-10-29(9-12-42)11-14-49/h3-6,23-24,29,33,43,45H,7-22,25-28H2,1-2H3/t33-/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	1.53E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against trypsin				Bioorg Med Chem Lett 10: 1567-70 (2000) BindingDB Entry DOI: 10.7270/Q2RX9BBS
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50090238 (3,3-Dimethyl-6-{3-[4-(2-morpholin-4-yl-2-oxo-ethyl...) Show SMILES CC1(C)CNc2c(C1)cc(CCC(=O)N1CCN(CC(=O)N3CCOCC3)CC1)cc2S(=O)(=O)N[C@@H](Cc1nc2ccccc2s1)C(=O)N1CCC(CCF)CC1 Show InChI InChI=1S/C41H56FN7O6S2/c1-41(2)26-31-23-30(7-8-37(50)47-17-15-46(16-18-47)27-38(51)48-19-21-55-22-20-48)24-35(39(31)43-28-41)57(53,54)45-33(25-36-44-32-5-3-4-6-34(32)56-36)40(52)49-13-10-29(9-12-42)11-14-49/h3-6,23-24,29,33,43,45H,7-22,25-28H2,1-2H3/t33-/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	2.12E+5	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Novartis Horsham Research Centre Curated by ChEMBL					Assay Description Inhibitory activity against plasmin				Bioorg Med Chem Lett 10: 1567-70 (2000) BindingDB Entry DOI: 10.7270/Q2RX9BBS
					More data for this Ligand-Target Pair