BDBM50150164 CHEMBL436584::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-13-hydroxy-8,14-dimethoxy-4,10,12,16-tetramethyl-3,20,22-trioxo-19-[(thiophene-2-carbonyl)-amino]-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)c1cccs1

InChI Key: InChIKey=ZGCRGBNEFRUVPE-DHNLCSDMSA-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 = 50150164   

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))	BDBM50150164 (CHEMBL436584 | 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)c1cccs1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C33H41N3O9S/c1-17-13-21-27(36-32(41)26-11-8-12-46-26)23(37)16-22(29(21)39)35-31(40)18(2)9-7-10-24(43-5)30(45-33(34)42)20(4)15-19(3)28(38)25(14-17)44-6/h7-13,15-16,19,24-25,28,30,37-39H,14H2,1-6H3,(H2,34,42)(H,35,40)(H,36,41)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,28+,30-/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	400	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))	BDBM50150164 (CHEMBL436584 | 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)c1cccs1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C33H41N3O9S/c1-17-13-21-27(36-32(41)26-11-8-12-46-26)23(37)16-22(29(21)39)35-31(40)18(2)9-7-10-24(43-5)30(45-33(34)42)20(4)15-19(3)28(38)25(14-17)44-6/h7-13,15-16,19,24-25,28,30,37-39H,14H2,1-6H3,(H2,34,42)(H,35,40)(H,36,41)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,28+,30-/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 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))	BDBM50150164 (CHEMBL436584 | 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)c1cccs1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C33H41N3O9S/c1-17-13-21-27(36-32(41)26-11-8-12-46-26)23(37)16-22(29(21)39)35-31(40)18(2)9-7-10-24(43-5)30(45-33(34)42)20(4)15-19(3)28(38)25(14-17)44-6/h7-13,15-16,19,24-25,28,30,37-39H,14H2,1-6H3,(H2,34,42)(H,35,40)(H,36,41)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,28+,30-/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))	BDBM50150164 (CHEMBL436584 | 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)c1cccs1 |w:6.6,16.16,t:28| Show InChI InChI=1S/C33H41N3O9S/c1-17-13-21-27(36-32(41)26-11-8-12-46-26)23(37)16-22(29(21)39)35-31(40)18(2)9-7-10-24(43-5)30(45-33(34)42)20(4)15-19(3)28(38)25(14-17)44-6/h7-13,15-16,19,24-25,28,30,37-39H,14H2,1-6H3,(H2,34,42)(H,35,40)(H,36,41)/b10-7?,17-13?,18-9?,20-15+/t19-,24-,25-,28+,30-/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	40	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