BDBM50150172 CHEMBL127839::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-19-[4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-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(CN2CCc3ccccc3C2)cc1

InChI Key: InChIKey=ZXMWCHGUFOCODV-FDKJSMQKSA-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 = 50150172   

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))	BDBM50150172 (CHEMBL127839 | 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(CN2CCc3ccccc3C2)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C45H54N4O9/c1-26-20-34-39(48-44(54)32-16-14-30(15-17-32)24-49-19-18-31-11-7-8-12-33(31)25-49)36(50)23-35(41(34)52)47-43(53)27(2)10-9-13-37(56-5)42(58-45(46)55)29(4)22-28(3)40(51)38(21-26)57-6/h7-17,20,22-23,28,37-38,40,42,50-52H,18-19,21,24-25H2,1-6H3,(H2,46,55)(H,47,53)(H,48,54)/b13-9?,26-20?,27-10?,29-22+/t28-,37-,38-,40+,42-/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	1.00E+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
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50150172 (CHEMBL127839 | 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(CN2CCc3ccccc3C2)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C45H54N4O9/c1-26-20-34-39(48-44(54)32-16-14-30(15-17-32)24-49-19-18-31-11-7-8-12-33(31)25-49)36(50)23-35(41(34)52)47-43(53)27(2)10-9-13-37(56-5)42(58-45(46)55)29(4)22-28(3)40(51)38(21-26)57-6/h7-17,20,22-23,28,37-38,40,42,50-52H,18-19,21,24-25H2,1-6H3,(H2,46,55)(H,47,53)(H,48,54)/b13-9?,26-20?,27-10?,29-22+/t28-,37-,38-,40+,42-/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	1.50E+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
Heat Shock Protein 90 (Hsp90) (Homo sapiens (Human))	BDBM50150172 (CHEMBL127839 | 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(CN2CCc3ccccc3C2)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C45H54N4O9/c1-26-20-34-39(48-44(54)32-16-14-30(15-17-32)24-49-19-18-31-11-7-8-12-33(31)25-49)36(50)23-35(41(34)52)47-43(53)27(2)10-9-13-37(56-5)42(58-45(46)55)29(4)22-28(3)40(51)38(21-26)57-6/h7-17,20,22-23,28,37-38,40,42,50-52H,18-19,21,24-25H2,1-6H3,(H2,46,55)(H,47,53)(H,48,54)/b13-9?,26-20?,27-10?,29-22+/t28-,37-,38-,40+,42-/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	200	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