BDBM50342947 (2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-((R)-2-(2-(2-fluorophenylamino)thiazol-4-yl)pyrrolidin-1-yl)-2,3-dihydroxy-4-oxobutanamide::CHEMBL1770651

SMILES: C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(Nc2ccccc2F)n1)c1ccc(cc1)-n1cccn1

InChI Key: InChIKey=QRDIQZQQVWIMMN-LRGWBYFTSA-N

Data: 1 KI  1 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 2 hits for monomerid = 50342947   

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
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50342947 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(Nc2ccccc2F)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C28H29FN6O4S/c1-17(18-9-11-19(12-10-18)35-15-5-13-30-35)31-26(38)24(36)25(37)27(39)34-14-4-8-23(34)22-16-40-28(33-22)32-21-7-3-2-6-20(21)29/h2-3,5-7,9-13,15-17,23-25,36-37H,4,8,14H2,1H3,(H,31,38)(H,32,33)/t17-,23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	1	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE				Bioorg Med Chem Lett 21: 3172-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.002 BindingDB Entry DOI: 10.7270/Q28P60T1
					More data for this Ligand-Target Pair
Disintegrin and metalloproteinase domain-containing protein 17 (Homo sapiens (Human))	BDBM50342947 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES C[C@@H](NC(=O)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1csc(Nc2ccccc2F)n1)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C28H29FN6O4S/c1-17(18-9-11-19(12-10-18)35-15-5-13-30-35)31-26(38)24(36)25(37)27(39)34-14-4-8-23(34)22-16-40-28(33-22)32-21-7-3-2-6-20(21)29/h2-3,5-7,9-13,15-17,23-25,36-37H,4,8,14H2,1H3,(H,31,38)(H,32,33)/t17-,23-,24-,25-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.14E+3	n/a	n/a	n/a	n/a	n/a	n/a
Merck Research Laboratories Curated by ChEMBL					Assay Description Inhibition of TACE by cell based assay				Bioorg Med Chem Lett 21: 3172-6 (2011) Article DOI: 10.1016/j.bmcl.2011.01.002 BindingDB Entry DOI: 10.7270/Q28P60T1
					More data for this Ligand-Target Pair