BDBM50112656 4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoylamino)-3-phenyl-propionylamino]-6-carbamoyl-hex-2-enoic acid ethyl ester::CHEMBL305321

SMILES: CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1

InChI Key: InChIKey=VHMOHBHADBLFMA-OTSNLXBQSA-N

Data: 5 EC50

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 5 hits for monomerid = 50112656   

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
Human rhinovirus A protease (Human rhinovirus B)	BDBM50112656 (4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...) Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27?/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	6.30E+3	n/a	n/a	n/a	n/a
Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description 50% effective concentration required to inhibit Human Rhinovirus 89 Protease 3C				J Med Chem 45: 2016-23 (2002) BindingDB Entry DOI: 10.7270/Q289156B
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50112656 (4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...) Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27?/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	600	n/a	n/a	n/a	n/a
Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description 50% effective concentration required to inhibit Human Rhinovirus 10 Protease 3C				J Med Chem 45: 2016-23 (2002) BindingDB Entry DOI: 10.7270/Q289156B
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50112656 (4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...) Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27?/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	2.30E+3	n/a	n/a	n/a	n/a
Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description 50% effective concentration required to inhibit Human Rhinovirus 16 Protease 3C				J Med Chem 45: 2016-23 (2002) BindingDB Entry DOI: 10.7270/Q289156B
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50112656 (4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...) Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27?/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	540	n/a	n/a	n/a	n/a
Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description Inhibition of Human Rhinovirus 14 (HRV14) Protease 3C				J Med Chem 45: 2016-23 (2002) BindingDB Entry DOI: 10.7270/Q289156B
					More data for this Ligand-Target Pair
Human rhinovirus A protease (Human rhinovirus B)	BDBM50112656 (4-[2-(2-Benzyloxycarbonylamino-4-methyl-pentanoyla...) Show SMILES CCOC(=O)\C=C\[C@H](CCC(N)=O)NC(=O)C(Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)OCc1ccccc1 Show InChI InChI=1S/C32H42N4O7/c1-4-42-29(38)18-16-25(15-17-28(33)37)34-30(39)27(20-23-11-7-5-8-12-23)35-31(40)26(19-22(2)3)36-32(41)43-21-24-13-9-6-10-14-24/h5-14,16,18,22,25-27H,4,15,17,19-21H2,1-3H3,(H2,33,37)(H,34,39)(H,35,40)(H,36,41)/b18-16+/t25-,26-,27?/m0/s1	MMDB UniProtKB/TrEMBL B.MOAD GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	PubMed	n/a	n/a	n/a	n/a	1.60E+3	n/a	n/a	n/a	n/a
Pfizer Global R&D-La Jolla/Agouron Pharmaceuticals Curated by ChEMBL					Assay Description 50% effective concentration required to inhibit Human Rhinovirus 2 Protease 3C				J Med Chem 45: 2016-23 (2002) BindingDB Entry DOI: 10.7270/Q289156B
					More data for this Ligand-Target Pair