BDBM50342962 (2R,3R)-4-((R)-2-amino-5-(2-(ethylamino)thiazol-4-yl)-5H-pyrrolo[3,4-d]pyrimidin-6(7H)-yl)-N-((R)-1-(4-(cyclopenta-2,4-dienyl)phenyl)ethyl)-2,3-dihydroxy-4-oxobutanamide::CHEMBL1770829

SMILES: CCNc1nc(cs1)[C@@H]1N(Cc2nc(N)ncc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1

InChI Key: InChIKey=XQIHPCLYRSFCFS-ISQWPPNESA-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 = 50342962   

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))	BDBM50342962 ((2R,3R)-4-((R)-2-amino-5-(2-(ethylamino)thiazol-4-...) Show SMILES CCNc1nc(cs1)[C@@H]1N(Cc2nc(N)ncc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C26H29N9O4S/c1-3-28-26-33-19(13-40-26)20-17-11-29-25(27)32-18(17)12-34(20)24(39)22(37)21(36)23(38)31-14(2)15-5-7-16(8-6-15)35-10-4-9-30-35/h4-11,13-14,20-22,36-37H,3,12H2,1-2H3,(H,28,33)(H,31,38)(H2,27,29,32)/t14-,20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	0.5	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))	BDBM50342962 ((2R,3R)-4-((R)-2-amino-5-(2-(ethylamino)thiazol-4-...) Show SMILES CCNc1nc(cs1)[C@@H]1N(Cc2nc(N)ncc12)C(=O)[C@H](O)[C@@H](O)C(=O)N[C@H](C)c1ccc(cc1)-n1cccn1 |r| Show InChI InChI=1S/C26H29N9O4S/c1-3-28-26-33-19(13-40-26)20-17-11-29-25(27)32-18(17)12-34(20)24(39)22(37)21(36)23(38)31-14(2)15-5-7-16(8-6-15)35-10-4-9-30-35/h4-11,13-14,20-22,36-37H,3,12H2,1-2H3,(H,28,33)(H,31,38)(H2,27,29,32)/t14-,20-,21-,22-/m1/s1	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL B.MOAD DrugBank antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	257	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