BDBM50150175 CHEMBL127177::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-19-(4-chloromethyl-benzoylamino)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-2-aza-bicyclo[16.3.1]docosa-1(21),4,6,10,18-pentaen-9-yl ester

SMILES: CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CCl)cc1

InChI Key: InChIKey=UHSFRLRTFMXNHT-DKCGGNBLSA-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 = 50150175   

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
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50150175 (CHEMBL127177 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CCl)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C36H44ClN3O9/c1-19-14-25-30(40-35(45)24-12-10-23(18-37)11-13-24)27(41)17-26(32(25)43)39-34(44)20(2)8-7-9-28(47-5)33(49-36(38)46)22(4)16-21(3)31(42)29(15-19)48-6/h7-14,16-17,21,28-29,31,33,41-43H,15,18H2,1-6H3,(H2,38,46)(H,39,44)(H,40,45)/b9-7?,19-14?,20-8?,22-16+/t21-,28-,29-,31+,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	2.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation Curated by ChEMBL					Assay Description Concentration required to inhbit Bis-ANS activity by recombinant heat shock protein 90 (rHSP90) conformational assay				J Med Chem 47: 3865-73 (2004) Article DOI: 10.1021/jm0306125 BindingDB Entry DOI: 10.7270/Q2NC60N3
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50150175 (CHEMBL127177 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CCl)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C36H44ClN3O9/c1-19-14-25-30(40-35(45)24-12-10-23(18-37)11-13-24)27(41)17-26(32(25)43)39-34(44)20(2)8-7-9-28(47-5)33(49-36(38)46)22(4)16-21(3)31(42)29(15-19)48-6/h7-14,16-17,21,28-29,31,33,41-43H,15,18H2,1-6H3,(H2,38,46)(H,39,44)(H,40,45)/b9-7?,19-14?,20-8?,22-16+/t21-,28-,29-,31+,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	550	n/a	n/a	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation Curated by ChEMBL					Assay Description Inhibition of human epidermal growth factor 2 (Her-2) degredation in MCF-7 cells				J Med Chem 47: 3865-73 (2004) Article DOI: 10.1021/jm0306125 BindingDB Entry DOI: 10.7270/Q2NC60N3
					More data for this Ligand-Target Pair
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50150175 (CHEMBL127177 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...) Show SMILES CO[C@H]1CC(C)=Cc2c(O)c(NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@H]1O)cc(O)c2NC(=O)c1ccc(CCl)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C36H44ClN3O9/c1-19-14-25-30(40-35(45)24-12-10-23(18-37)11-13-24)27(41)17-26(32(25)43)39-34(44)20(2)8-7-9-28(47-5)33(49-36(38)46)22(4)16-21(3)31(42)29(15-19)48-6/h7-14,16-17,21,28-29,31,33,41-43H,15,18H2,1-6H3,(H2,38,46)(H,39,44)(H,40,45)/b9-7?,19-14?,20-8?,22-16+/t21-,28-,29-,31+,33-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	4.00E+3	n/a	n/a	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation Curated by ChEMBL					Assay Description Concentration required to inhibit biotin-GM binding to recombinant heat shock protein 90(rHsp90)				J Med Chem 47: 3865-73 (2004) Article DOI: 10.1021/jm0306125 BindingDB Entry DOI: 10.7270/Q2NC60N3
					More data for this Ligand-Target Pair