BDBM50290019 (3S,6S,9aS)-6-(3-Methyl-1,2,3,4-tetrahydro-quinoline-8-sulfonylamino)-5-oxo-octahydro-pyrrolo[1,2-a]azepine-3-carboxylic acid ((S)-1-carbamimidoyl-2-hydroxy-piperidin-3-yl)-amide; hydrochloride::CHEMBL544760

SMILES: CC1CNc2c(C1)cccc2S(=O)(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N

InChI Key: InChIKey=BTGCZDIQOWWXRP-AIYZNMQYSA-N

Data: 3 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 3 hits for monomerid = 50290019   

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
Serine protease 1 (Bos taurus (bovine))	BDBM50290019 ((3S,6S,9aS)-6-(3-Methyl-1,2,3,4-tetrahydro-quinoli...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C26H39N7O5S/c1-15-13-16-5-2-9-21(22(16)29-14-15)39(37,38)31-19-7-3-6-17-10-11-20(33(17)25(19)36)23(34)30-18-8-4-12-32(24(18)35)26(27)28/h2,5,9,15,17-20,24,29,31,35H,3-4,6-8,10-14H2,1H3,(H3,27,28)(H,30,34)/t15?,17-,18-,19-,20-,24?/m0/s1	PDB MMDB KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	100	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro ability to inhibit the activity of Trypsin				Bioorg Med Chem Lett 7: 2205-2210 (1997) Article DOI: 10.1016/S0960-894X(97)00403-4 BindingDB Entry DOI: 10.7270/Q21G0MR2
					More data for this Ligand-Target Pair
Plasminogen (Homo sapiens (Human))	BDBM50290019 ((3S,6S,9aS)-6-(3-Methyl-1,2,3,4-tetrahydro-quinoli...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C26H39N7O5S/c1-15-13-16-5-2-9-21(22(16)29-14-15)39(37,38)31-19-7-3-6-17-10-11-20(33(17)25(19)36)23(34)30-18-8-4-12-32(24(18)35)26(27)28/h2,5,9,15,17-20,24,29,31,35H,3-4,6-8,10-14H2,1H3,(H3,27,28)(H,30,34)/t15?,17-,18-,19-,20-,24?/m0/s1	PDB MMDB NCI pathway Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	1.04E+3	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro ability to inhibit the activity of Plasmin				Bioorg Med Chem Lett 7: 2205-2210 (1997) Article DOI: 10.1016/S0960-894X(97)00403-4 BindingDB Entry DOI: 10.7270/Q21G0MR2
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50290019 ((3S,6S,9aS)-6-(3-Methyl-1,2,3,4-tetrahydro-quinoli...) Show SMILES CC1CNc2c(C1)cccc2S(=O)(=O)N[C@H]1CCC[C@H]2CC[C@H](N2C1=O)C(=O)N[C@H]1CCCN(C1O)C(N)=N |r| Show InChI InChI=1S/C26H39N7O5S/c1-15-13-16-5-2-9-21(22(16)29-14-15)39(37,38)31-19-7-3-6-17-10-11-20(33(17)25(19)36)23(34)30-18-8-4-12-32(24(18)35)26(27)28/h2,5,9,15,17-20,24,29,31,35H,3-4,6-8,10-14H2,1H3,(H3,27,28)(H,30,34)/t15?,17-,18-,19-,20-,24?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article	n/a	n/a	18	n/a	n/a	n/a	n/a	n/a	n/a
TBA Curated by ChEMBL					Assay Description In vitro ability to inhibit the activity of human alpha Thrombin				Bioorg Med Chem Lett 7: 2205-2210 (1997) Article DOI: 10.1016/S0960-894X(97)00403-4 BindingDB Entry DOI: 10.7270/Q21G0MR2
					More data for this Ligand-Target Pair