BDBM50150178 CHEMBL435016::Carbamic acid (4E,6Z,10E)-(8S,9S,12S,13R,14S,16R)-19-(4-dipropylaminomethyl-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: CCCN(CCC)Cc1ccc(cc1)C(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC

InChI Key: InChIKey=PHONBLZDLFOKTD-SXSXBDEJSA-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 = 50150178   

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))	BDBM50150178 (CHEMBL435016 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...) Show SMILES CCCN(CCC)Cc1ccc(cc1)C(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC |w:49.50,27.28,t:40| Show InChI InChI=1S/C42H58N4O9/c1-9-18-46(19-10-2)24-29-14-16-30(17-15-29)41(51)45-36-31-20-25(3)21-35(54-8)37(48)27(5)22-28(6)39(55-42(43)52)34(53-7)13-11-12-26(4)40(50)44-32(38(31)49)23-33(36)47/h11-17,20,22-23,27,34-35,37,39,47-49H,9-10,18-19,21,24H2,1-8H3,(H2,43,52)(H,44,50)(H,45,51)/b13-11?,25-20?,26-12?,28-22+/t27-,34-,35-,37+,39-/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 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))	BDBM50150178 (CHEMBL435016 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...) Show SMILES CCCN(CCC)Cc1ccc(cc1)C(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC |w:49.50,27.28,t:40| Show InChI InChI=1S/C42H58N4O9/c1-9-18-46(19-10-2)24-29-14-16-30(17-15-29)41(51)45-36-31-20-25(3)21-35(54-8)37(48)27(5)22-28(6)39(55-42(43)52)34(53-7)13-11-12-26(4)40(50)44-32(38(31)49)23-33(36)47/h11-17,20,22-23,27,34-35,37,39,47-49H,9-10,18-19,21,24H2,1-8H3,(H2,43,52)(H,44,50)(H,45,51)/b13-11?,25-20?,26-12?,28-22+/t27-,34-,35-,37+,39-/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	500	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))	BDBM50150178 (CHEMBL435016 | Carbamic acid (4E,6Z,10E)-(8S,9S,12...) Show SMILES CCCN(CCC)Cc1ccc(cc1)C(=O)Nc1c(O)cc2NC(=O)C(C)=CC=C[C@H](OC)[C@@H](OC(N)=O)\C(C)=C\[C@H](C)[C@@H](O)[C@H](CC(C)=Cc1c2O)OC |w:49.50,27.28,t:40| Show InChI InChI=1S/C42H58N4O9/c1-9-18-46(19-10-2)24-29-14-16-30(17-15-29)41(51)45-36-31-20-25(3)21-35(54-8)37(48)27(5)22-28(6)39(55-42(43)52)34(53-7)13-11-12-26(4)40(50)44-32(38(31)49)23-33(36)47/h11-17,20,22-23,27,34-35,37,39,47-49H,9-10,18-19,21,24H2,1-8H3,(H2,43,52)(H,44,50)(H,45,51)/b13-11?,25-20?,26-12?,28-22+/t27-,34-,35-,37+,39-/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	1.20E+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