BDBM50342960 (2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)-4-((R)-6-fluoro-1-(2-(methylamino)thiazol-4-yl)isoindolin-2-yl)-2,3-dihydroxy-4-oxobutanamide::CHEMBL1770827

SMILES: CNc1nc(cs1)[C@@H]1N(Cc2ccc(F)cc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1

InChI Key: InChIKey=BPGLVRHHHRCXIG-DVSNZQAGSA-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 = 50342960   

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))	BDBM50342960 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccc(F)cc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H27FN6O4S/c1-15(16-5-8-19(9-6-16)34-11-3-10-30-34)31-25(37)23(35)24(36)26(38)33-13-17-4-7-18(28)12-20(17)22(33)21-14-39-27(29-2)32-21/h3-12,14-15,22-24,35-36H,13H2,1-2H3,(H,29,32)(H,31,37)/t15-,22-,23-,24-/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	16	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))	BDBM50342960 ((2R,3R)-N-((R)-1-(4-(1H-pyrazol-1-yl)phenyl)ethyl)...) Show SMILES CNc1nc(cs1)[C@@H]1N(Cc2ccc(F)cc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C27H27FN6O4S/c1-15(16-5-8-19(9-6-16)34-11-3-10-30-34)31-25(37)23(35)24(36)26(38)33-13-17-4-7-18(28)12-20(17)22(33)21-14-39-27(29-2)32-21/h3-12,14-15,22-24,35-36H,13H2,1-2H3,(H,29,32)(H,31,37)/t15-,22-,23-,24-/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	384	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