BDBM50150184 CHEMBL332352::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-19-(4-dimethylaminomethyl-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(CN(C)C)cc1

InChI Key: InChIKey=HDKFISALZHNPSK-CACUGLNJSA-N

Data: 4 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 4 hits for monomerid = 50150184   

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))	BDBM50150184 (CHEMBL332352 | 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(CN(C)C)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C38H50N4O9/c1-21-16-27-32(41-37(47)26-14-12-25(13-15-26)20-42(5)6)29(43)19-28(34(27)45)40-36(46)22(2)10-9-11-30(49-7)35(51-38(39)48)24(4)18-23(3)33(44)31(17-21)50-8/h9-16,18-19,23,30-31,33,35,43-45H,17,20H2,1-8H3,(H2,39,48)(H,40,46)(H,41,47)/b11-9?,21-16?,22-10?,24-18+/t23-,30-,31-,33+,35-/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	3.00E+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))	BDBM50150184 (CHEMBL332352 | 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(CN(C)C)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C38H50N4O9/c1-21-16-27-32(41-37(47)26-14-12-25(13-15-26)20-42(5)6)29(43)19-28(34(27)45)40-36(46)22(2)10-9-11-30(49-7)35(51-38(39)48)24(4)18-23(3)33(44)31(17-21)50-8/h9-16,18-19,23,30-31,33,35,43-45H,17,20H2,1-8H3,(H2,39,48)(H,40,46)(H,41,47)/b11-9?,21-16?,22-10?,24-18+/t23-,30-,31-,33+,35-/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	1.70E+4	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
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50150184 (CHEMBL332352 | 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(CN(C)C)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C38H50N4O9/c1-21-16-27-32(41-37(47)26-14-12-25(13-15-26)20-42(5)6)29(43)19-28(34(27)45)40-36(46)22(2)10-9-11-30(49-7)35(51-38(39)48)24(4)18-23(3)33(44)31(17-21)50-8/h9-16,18-19,23,30-31,33,35,43-45H,17,20H2,1-8H3,(H2,39,48)(H,40,46)(H,41,47)/b11-9?,21-16?,22-10?,24-18+/t23-,30-,31-,33+,35-/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	1.70E+3	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))	BDBM50150184 (CHEMBL332352 | 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(CN(C)C)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C38H50N4O9/c1-21-16-27-32(41-37(47)26-14-12-25(13-15-26)20-42(5)6)29(43)19-28(34(27)45)40-36(46)22(2)10-9-11-30(49-7)35(51-38(39)48)24(4)18-23(3)33(44)31(17-21)50-8/h9-16,18-19,23,30-31,33,35,43-45H,17,20H2,1-8H3,(H2,39,48)(H,40,46)(H,41,47)/b11-9?,21-16?,22-10?,24-18+/t23-,30-,31-,33+,35-/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	15	n/a	n/a	n/a	n/a	n/a	n/a
Conforma Therapeutics Corporation Curated by ChEMBL					Assay Description Concentration of test compound required for inhibition of binding of rHsp90 in MCF-7 cell lysate				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