BDBM50150183 CHEMBL338516::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-19-(4-fluoro-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(F)cc1

InChI Key: InChIKey=MBDBJHHVTVUFNQ-OOYUSDKDSA-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 = 50150183   

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))	BDBM50150183 (CHEMBL338516 | 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(F)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C35H42FN3O9/c1-18-14-24-29(39-34(44)22-10-12-23(36)13-11-22)26(40)17-25(31(24)42)38-33(43)19(2)8-7-9-27(46-5)32(48-35(37)45)21(4)16-20(3)30(41)28(15-18)47-6/h7-14,16-17,20,27-28,30,32,40-42H,15H2,1-6H3,(H2,37,45)(H,38,43)(H,39,44)/b9-7?,18-14?,19-8?,21-16+/t20-,27-,28-,30+,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	250	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))	BDBM50150183 (CHEMBL338516 | 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(F)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C35H42FN3O9/c1-18-14-24-29(39-34(44)22-10-12-23(36)13-11-22)26(40)17-25(31(24)42)38-33(43)19(2)8-7-9-27(46-5)32(48-35(37)45)21(4)16-20(3)30(41)28(15-18)47-6/h7-14,16-17,20,27-28,30,32,40-42H,15H2,1-6H3,(H2,37,45)(H,38,43)(H,39,44)/b9-7?,18-14?,19-8?,21-16+/t20-,27-,28-,30+,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50150183 (CHEMBL338516 | 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(F)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C35H42FN3O9/c1-18-14-24-29(39-34(44)22-10-12-23(36)13-11-22)26(40)17-25(31(24)42)38-33(43)19(2)8-7-9-27(46-5)32(48-35(37)45)21(4)16-20(3)30(41)28(15-18)47-6/h7-14,16-17,20,27-28,30,32,40-42H,15H2,1-6H3,(H2,37,45)(H,38,43)(H,39,44)/b9-7?,18-14?,19-8?,21-16+/t20-,27-,28-,30+,32-/m0/s1	PDB Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL antibodypedia antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	1.50E+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