BDBM86207 CAS_50-36-2::COCAINE::NSC_446220

SMILES: COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C

InChI Key: InChIKey=ZPUCINDJVBIVPJ-UHFFFAOYSA-N

Data: 7 KI

PDB links: 6 PDB IDs match this monomer.

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 7 hits for monomerid = 86207   

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
Norepinephrine transporter (RAT)	BDBM86207 (CAS_50-36-2 | COCAINE | NSC_446220) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3	GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	119	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 143-50 (2003) Article DOI: 10.1124/jpet.102.046318 BindingDB Entry DOI: 10.7270/Q2R20ZZ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM86207 (CAS_50-36-2 | COCAINE | NSC_446220) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	128	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by PDSP Ki Database									J Pharmacol Exp Ther 314: 575-83 (2005) Article DOI: 10.1124/jpet.105.085829 BindingDB Entry DOI: 10.7270/Q27M06H6
					More data for this Ligand-Target Pair
Sodium-dependent serotonin transporter (Rattus norvegicus (rat))	BDBM86207 (CAS_50-36-2 | COCAINE | NSC_446220) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3	PDB KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	177	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 143-50 (2003) Article DOI: 10.1124/jpet.102.046318 BindingDB Entry DOI: 10.7270/Q2R20ZZ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM86207 (CAS_50-36-2 | COCAINE | NSC_446220) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	275	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Georgetown University Curated by PDSP Ki Database									J Pharmacol Exp Ther 305: 143-50 (2003) Article DOI: 10.1124/jpet.102.046318 BindingDB Entry DOI: 10.7270/Q2R20ZZ8
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Homo sapiens (Human))	BDBM86207 (CAS_50-36-2 | COCAINE | NSC_446220) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3	NCI pathway Reactome pathway KEGG UniProtKB/SwissProt DrugBank GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	469	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 1035-45 (2004) Article DOI: 10.1124/jpet.104.068098 BindingDB Entry DOI: 10.7270/Q2WH2NJN
					More data for this Ligand-Target Pair
Sodium-dependent dopamine transporter (Rattus norvegicus (rat))	BDBM86207 (CAS_50-36-2 | COCAINE | NSC_446220) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	555	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
Duquesne University Curated by PDSP Ki Database									J Pharmacol Exp Ther 314: 575-83 (2005) Article DOI: 10.1124/jpet.105.085829 BindingDB Entry DOI: 10.7270/Q27M06H6
					More data for this Ligand-Target Pair
Sodium-dependent noradrenaline transporter (Homo sapiens (Human))	BDBM86207 (CAS_50-36-2 | COCAINE | NSC_446220) Show SMILES COC(=O)C1C2CCC(CC1OC(=O)c1ccccc1)N2C |TLB:2:4:20:7.6,11:10:20:7.6| Show InChI InChI=1S/C17H21NO4/c1-18-12-8-9-13(18)15(17(20)21-2)14(10-12)22-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3	Reactome pathway KEGG UniProtKB/SwissProt UniProtKB/TrEMBL DrugBank antibodypedia GoogleScholar AffyNet	Purchase PC cid PC sid PDB UniChem Patents Similars	Article PubMed	2.42E+3	n/a	n/a	n/a	n/a	n/a	n/a	n/a	n/a
University of Kentucky Curated by PDSP Ki Database									J Pharmacol Exp Ther 310: 1035-45 (2004) Article DOI: 10.1124/jpet.104.068098 BindingDB Entry DOI: 10.7270/Q2WH2NJN
					More data for this Ligand-Target Pair