BDBM50150157 CHEMBL436002::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-19-[4-(4-methyl-piperazin-1-ylmethyl)-benzoylamino]-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(CN2CCN(C)CC2)cc1

InChI Key: InChIKey=JNDOPIAQDRPTOH-HHIIGDKZSA-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 = 50150157   

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))	BDBM50150157 (CHEMBL436002 | 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(CN2CCN(C)CC2)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C41H55N5O9/c1-24-19-30-35(44-40(51)29-13-11-28(12-14-29)23-46-17-15-45(5)16-18-46)32(47)22-31(37(30)49)43-39(50)25(2)9-8-10-33(53-6)38(55-41(42)52)27(4)21-26(3)36(48)34(20-24)54-7/h8-14,19,21-22,26,33-34,36,38,47-49H,15-18,20,23H2,1-7H3,(H2,42,52)(H,43,50)(H,44,51)/b10-8?,24-19?,25-9?,27-21+/t26-,33-,34-,36+,38-/m0/s1	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	120	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 half-maximal inhibition of binding of Heat shock 90 KD protein by MCF-7 cell lysate 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))	BDBM50150157 (CHEMBL436002 | 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(CN2CCN(C)CC2)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C41H55N5O9/c1-24-19-30-35(44-40(51)29-13-11-28(12-14-29)23-46-17-15-45(5)16-18-46)32(47)22-31(37(30)49)43-39(50)25(2)9-8-10-33(53-6)38(55-41(42)52)27(4)21-26(3)36(48)34(20-24)54-7/h8-14,19,21-22,26,33-34,36,38,47-49H,15-18,20,23H2,1-7H3,(H2,42,52)(H,43,50)(H,44,51)/b10-8?,24-19?,25-9?,27-21+/t26-,33-,34-,36+,38-/m0/s1	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	800	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))	BDBM50150157 (CHEMBL436002 | 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(CN2CCN(C)CC2)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C41H55N5O9/c1-24-19-30-35(44-40(51)29-13-11-28(12-14-29)23-46-17-15-45(5)16-18-46)32(47)22-31(37(30)49)43-39(50)25(2)9-8-10-33(53-6)38(55-41(42)52)27(4)21-26(3)36(48)34(20-24)54-7/h8-14,19,21-22,26,33-34,36,38,47-49H,15-18,20,23H2,1-7H3,(H2,42,52)(H,43,50)(H,44,51)/b10-8?,24-19?,25-9?,27-21+/t26-,33-,34-,36+,38-/m0/s1	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	5.00E+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))	BDBM50150157 (CHEMBL436002 | 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(CN2CCN(C)CC2)cc1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C41H55N5O9/c1-24-19-30-35(44-40(51)29-13-11-28(12-14-29)23-46-17-15-45(5)16-18-46)32(47)22-31(37(30)49)43-39(50)25(2)9-8-10-33(53-6)38(55-41(42)52)27(4)21-26(3)36(48)34(20-24)54-7/h8-14,19,21-22,26,33-34,36,38,47-49H,15-18,20,23H2,1-7H3,(H2,42,52)(H,43,50)(H,44,51)/b10-8?,24-19?,25-9?,27-21+/t26-,33-,34-,36+,38-/m0/s1	PDB Reactome pathway KEGG GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Patents Similars	Article PubMed	n/a	n/a	8.00E+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