BDBM50054495 CHEMBL422470::Lactum Sulfonamide analogue

SMILES: NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)NC3CCCCC3)C2=O)C1O

InChI Key: InChIKey=IMDBNXVGVFXYFG-LPMVOBIJSA-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 = 50054495   

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
Coagulation factor X (Homo sapiens (Human))	BDBM50054495 (CHEMBL422470 | Lactum Sulfonamide analogue) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)NC3CCCCC3)C2=O)C1O Show InChI InChI=1S/C20H36N6O5S/c21-19(22)14-8-4-9-15(18(14)28)23-17(27)12-26-11-5-10-16(20(26)29)25-32(30,31)24-13-6-2-1-3-7-13/h13-16,18,24-25,28H,1-12H2,(H3,21,22)(H,23,27)/t14?,15-,16-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.95E+3	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of Coagulation factor X				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Trypsin-1 (Homo sapiens (Human))	BDBM50054495 (CHEMBL422470 | Lactum Sulfonamide analogue) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)NC3CCCCC3)C2=O)C1O Show InChI InChI=1S/C20H36N6O5S/c21-19(22)14-8-4-9-15(18(14)28)23-17(27)12-26-11-5-10-16(20(26)29)25-32(30,31)24-13-6-2-1-3-7-13/h13-16,18,24-25,28H,1-12H2,(H3,21,22)(H,23,27)/t14?,15-,16-,18?/m0/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	147	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease Trypsin.				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair
Prothrombin (Homo sapiens (Human))	BDBM50054495 (CHEMBL422470 | Lactum Sulfonamide analogue) Show SMILES NC(=N)C1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)NC3CCCCC3)C2=O)C1O Show InChI InChI=1S/C20H36N6O5S/c21-19(22)14-8-4-9-15(18(14)28)23-17(27)12-26-11-5-10-16(20(26)29)25-32(30,31)24-13-6-2-1-3-7-13/h13-16,18,24-25,28H,1-12H2,(H3,21,22)(H,23,27)/t14?,15-,16-,18?/m0/s1	PDB UniProtKB/SwissProt antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem	Article PubMed	n/a	n/a	235	n/a	n/a	n/a	n/a	n/a	n/a
Corvas International, Inc. Curated by ChEMBL					Assay Description In vitro for inhibition of serine protease thrombin(FIIa).				J Med Chem 39: 4531-6 (1996) Article DOI: 10.1021/jm960572n BindingDB Entry DOI: 10.7270/Q28051QT
					More data for this Ligand-Target Pair